 Entering Gaussian System, Link 0=g16
 Input=22_phenylethanamine_conformer03_STD_wB97XD_augccpVDZ.in
 Output=22_phenylethanamine_conformer03_STD_wB97XD_augccpVDZ.log
 AtFile(1): /user/pierpa/basis_sets/augccpVDZ.gbs
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            ****
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            ****
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            ****
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            ****
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            ****
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            ****
            -Mn     0
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                  6.554800D-02          -9.011202D-03
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                  1.349768D+05          -8.570592D-06
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                  6.554800D-02           5.755741D-01
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            S    20   1.00
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                  5.931155D+05          -3.282099D-06
                  1.349768D+05          -1.667433D-05
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            S    1   1.00
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            P    16   1.00
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            ****
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                  1.934190D+01          -1.082310D-01
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            ****
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            S    20   1.00
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                  8.715234D+05           1.552973D-06
                  1.983350D+05           8.161259D-06
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            P    16   1.00
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            P    16   1.00
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                  6.995600D-01           2.716570D-01
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                  6.144981D+01           2.617600D-02
                  2.305689D+01           1.113670D-01
                  9.577739D+00           3.045810D-01
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                  6.995600D-01          -5.388760D-01
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            F    1   1.00
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            ****
            -Ga     0
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                  4.687800D+03           3.402480D-02
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            S    14   1.00
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            S    14   1.00
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            D    1   1.00
                  0.0537000              1.0000000
            ****
            -Ge     0
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            ****
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            ****
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            ****
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                  1.060579D+03           1.274240D-02
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                  1.289984D+02           2.085635D-01
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                  1.750446D+00           2.713900D-03
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                  1.060579D+03          -5.221200D-03
                  3.422081D+02          -2.684630D-02
                  1.289984D+02          -9.158230D-02
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                  1.750446D+00           2.750453D-01
                  5.291900D-01           1.277060D-02
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                  4.474270D+03           1.701000D-04
                  1.060579D+03           1.406400D-03
                  3.422081D+02           7.396300D-03
                  1.289984D+02           2.482540D-02
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                  2.295942D+01           4.121320D-02
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                  4.083055D+00          -2.440586D-01
                  1.750446D+00          -2.950070D-02
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            D    5   1.00
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                  3.346525D+01           1.321620D-01
                  1.183046D+01           3.633484D-01
                  4.339771D+00           4.929582D-01
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            D    1   1.00
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            ****
            -Y     0
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                 29.2935000              0.0066660
                 16.6827000             -0.0497340
                 10.4235000              0.1315590
                  3.0952600             -0.5243820
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                  0.3225670              0.4639580
                  0.0690850              0.0204860
            S    7   1.00
                 29.2935000             -0.0013580
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                 10.4235000             -0.0375720
                  3.0952600              0.1741090
                  0.7079710             -0.3385090
                  0.3225670             -0.3354170
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            S    7   1.00
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                 16.6827000             -0.0574010
                 10.4235000              0.1106480
                  3.0952600             -0.3769430
                  0.7079710              1.2026360
                  0.3225670             -0.4875820
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            S    1   1.00
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            P    6   1.00
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                  0.4727970              0.4983480
                  0.2197340              0.1957420
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            P    6   1.00
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                  0.9906740             -0.1495270
                  0.4727970             -0.2243370
                  0.2197340             -0.0114700
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            P    6   1.00
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                  4.0242700             -0.0963010
                  0.9906740              0.2986850
                  0.4727970              0.8892190
                  0.2197340             -1.4854780
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            P    1   1.00
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            D    5   1.00
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                  0.5614050              0.2962740
                  0.2267020              0.3908730
                  0.0879490              0.3539610
            D    5   1.00
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                  1.3201900             -0.1499100
                  0.5614050             -0.3732930
                  0.2267020             -0.3129870
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            D    1   1.00
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            D    1   1.00
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            F    1   1.00
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            F    1   1.00
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            ****
            -Zr     0
            S    7   1.00
                 53.4460000              0.0014860
                 17.0981000             -0.0365920
                 10.6875000              0.1321550
                  3.3913400             -0.5464540
                  0.7884750              0.8022910
                  0.3599820              0.4583040
                  0.0777920              0.0203880
            S    7   1.00
                 53.4460000             -0.0003080
                 17.0981000              0.0096310
                 10.6875000             -0.0390430
                  3.3913400              0.1847170
                  0.7884750             -0.3584690
                  0.3599820             -0.3208280
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            S    7   1.00
                 53.4460000              0.0028110
                 17.0981000             -0.0412920
                 10.6875000              0.1148910
                  3.3913400             -0.4348090
                  0.7884750              1.4174320
                  0.3599820             -0.7286190
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            S    1   1.00
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            S    1   1.00
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            P    6   1.00
                  9.9011600              0.0214360
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                  1.0931000              0.4543260
                  0.5187860              0.4991190
                  0.2363630              0.1777830
                  0.0847070              0.0104040
            P    6   1.00
                  9.9011600             -0.0058310
                  4.4181900              0.0481520
                  1.0931000             -0.1600800
                  0.5187860             -0.2201350
                  0.2363630              0.0355150
                  0.0847070              0.6181780
            P    6   1.00
                  9.9011600             -0.0078290
                  4.4181900              0.0660080
                  1.0931000             -0.2113740
                  0.5187860             -0.3575490
                  0.2363630              0.1703870
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            P    1   1.00
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            P    1   1.00
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            D    5   1.00
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                  1.5708900              0.1278490
                  0.6923540              0.3219090
                  0.2904140              0.3998190
                  0.1158780              0.3194760
            D    5   1.00
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                  1.5708900             -0.1579890
                  0.6923540             -0.3979000
                  0.2904140             -0.2555990
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            D    1   1.00
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            D    1   1.00
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            F    1   1.00
                  0.3272000              1.0000000
            F    1   1.00
                  0.0891000              1.0000000
            ****
            -Nb     0
            S    7   1.00
                 80.8096000              0.0008890
                 17.9220000             -0.0347930
                 11.2050000              0.1389100
                  3.6990100             -0.5655680
                  0.8712090              0.8147210
                  0.3974440              0.4547970
                  0.0854690              0.0200510
            S    7   1.00
                 80.8096000             -0.0002000
                 17.9220000              0.0093020
                 11.2050000             -0.0414910
                  3.6990100              0.1923710
                  0.8712090             -0.3713520
                  0.3974440             -0.3068350
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            S    7   1.00
                 80.8096000              0.0015640
                 17.9220000             -0.0382840
                 11.2050000              0.1209450
                  3.6990100             -0.4647790
                  0.8712090              1.5031600
                  0.3974440             -0.8262330
                  0.0854690             -1.5845850
            S    1   1.00
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            S    1   1.00
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            P    6   1.00
                 10.6457000              0.0234360
                  4.8235100             -0.1683110
                  1.2030900              0.4693810
                  0.5695080              0.4980520
                  0.2569700              0.1675400
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            P    6   1.00
                 10.6457000             -0.0064960
                  4.8235100              0.0513810
                  1.2030900             -0.1706080
                  0.5695080             -0.2198720
                  0.2569700              0.0561670
                  0.0929460              0.6165950
            P    6   1.00
                 10.6457000             -0.0091300
                  4.8235100              0.0732300
                  1.2030900             -0.2370360
                  0.5695080             -0.3685640
                  0.2569700              0.2364390
                  0.0929460              0.8267330
            P    1   1.00
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            P    1   1.00
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            D    5   1.00
                  4.5456300             -0.0104650
                  1.8272300              0.1305530
                  0.8257640              0.3347580
                  0.3551560              0.4020270
                  0.1447240              0.3008350
            D    5   1.00
                  4.5456300              0.0105280
                  1.8272300             -0.1615000
                  0.8257640             -0.4113720
                  0.3551560             -0.2117820
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            D    1   1.00
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            D    1   1.00
                  0.0204000              1.0000000
            F    1   1.00
                  0.4690000              1.0000000
            F    1   1.00
                  0.1387000              1.0000000
            ****
            -Mo     0
            S    7   1.00
                106.9780000              0.0007350
                 18.8824000             -0.0350900
                 11.8077000              0.1473480
                  4.0211800             -0.5833630
                  0.9568160              0.8256350
                  0.4356920              0.4523110
                  0.0925180              0.0190550
            S    7   1.00
                106.9780000             -0.0001760
                 18.8824000              0.0093320
                 11.8077000             -0.0438110
                  4.0211800              0.1972320
                  0.9568160             -0.3773110
                  0.4356920             -0.2939670
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            S    7   1.00
                106.9780000              0.0011660
                 18.8824000             -0.0376070
                 11.8077000              0.1259800
                  4.0211800             -0.4752370
                  0.9568160              1.4989830
                  0.4356920             -0.8223450
                  0.0925180             -1.5606240
            S    1   1.00
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            S    1   1.00
                  0.0131000              1.0000000
            P    6   1.00
                 11.4118000              0.0253450
                  5.2453500             -0.1752130
                  1.3188400              0.4812720
                  0.6229830              0.4972610
                  0.2791080              0.1595550
                  0.1005260              0.0075430
            P    6   1.00
                 11.4118000             -0.0070220
                  5.2453500              0.0533390
                  1.3188400             -0.1756430
                  0.6229830             -0.2162130
                  0.2791080              0.0679580
                  0.1005260              0.6128160
            P    6   1.00
                 11.4118000             -0.0104200
                  5.2453500              0.0798670
                  1.3188400             -0.2629000
                  0.6229830             -0.3651840
                  0.2791080              0.2866730
                  0.1005260              0.8002580
            P    1   1.00
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            P    1   1.00
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            D    5   1.00
                  5.2576100             -0.0147610
                  2.1046200              0.1319820
                  0.9582010              0.3470860
                  0.4140470              0.4054710
                  0.1684500              0.2880580
            D    5   1.00
                  5.2576100              0.0154390
                  2.1046200             -0.1606210
                  0.9582010             -0.4232290
                  0.4140470             -0.1923390
                  0.1684500              0.5314590
            D    1   1.00
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            D    1   1.00
                  0.0231000              1.0000000
            F    1   1.00
                  0.6007000              1.0000000
            F    1   1.00
                  0.1850000              1.0000000
            ****
            -Tc     0
            S    7   1.00
                132.6560000              0.0006860
                 19.8986000             -0.0360010
                 12.4450000              0.1564650
                  4.3605000             -0.5995730
                  1.0443600              0.8357100
                  0.4741590              0.4490550
                  0.0987360              0.0183780
            S    7   1.00
                132.6560000             -0.0001680
                 19.8986000              0.0093110
                 12.4450000             -0.0455350
                  4.3605000              0.1986020
                  1.0443600             -0.3749740
                  0.4741590             -0.2817600
                  0.0987360              0.6329980
            S    7   1.00
                132.6560000              0.0009800
                 19.8986000             -0.0378410
                 12.4450000              0.1317670
                  4.3605000             -0.4834180
                  1.0443600              1.4848540
                  0.4741590             -0.8047310
                  0.0987360             -1.5511910
            S    1   1.00
                  0.0367360              1.0000000
            S    1   1.00
                  0.0137000              1.0000000
            P    6   1.00
                 12.1789000              0.0273140
                  5.6848400             -0.1814030
                  1.4398300              0.4908910
                  0.6789090              0.4965410
                  0.3025150              0.1532990
                  0.1073070              0.0067000
            P    6   1.00
                 12.1789000             -0.0074300
                  5.6848400              0.0541370
                  1.4398300             -0.1762270
                  0.6789090             -0.2096540
                  0.3025150              0.0734980
                  0.1073070              0.6070490
            P    6   1.00
                 12.1789000             -0.0116300
                  5.6848400              0.0854050
                  1.4398300             -0.2844050
                  0.6789090             -0.3578760
                  0.3025150              0.3260330
                  0.1073070              0.7801240
            P    1   1.00
                  0.0381770              1.0000000
            P    1   1.00
                  0.0136000              1.0000000
            D    5   1.00
                  5.7601300             -0.0164110
                  2.3642400              0.1344070
                  1.0887100              0.3547260
                  0.4740600              0.4044790
                  0.1936070              0.2788770
            D    5   1.00
                  5.7601300              0.0169910
                  2.3642400             -0.1548960
                  1.0887100             -0.4281920
                  0.4740600             -0.1789920
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            D    1   1.00
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            D    1   1.00
                  0.0264000              1.0000000
            F    1   1.00
                  0.7228000              1.0000000
            F    1   1.00
                  0.2272000              1.0000000
            ****
            -Ru     0
            S    7   1.00
                159.3720000              0.0006730
                 20.9016000             -0.0371610
                 13.0741000              0.1665170
                  4.7147400             -0.6159540
                  1.1361200              0.8428300
                  0.5154640              0.4477630
                  0.1067670              0.0184450
            S    7   1.00
                159.3720000             -0.0001690
                 20.9016000              0.0093920
                 13.0741000             -0.0477130
                  4.7147400              0.2011130
                  1.1361200             -0.3734210
                  0.5154640             -0.2738590
                  0.1067670              0.6093840
            S    7   1.00
                159.3720000              0.0008950
                 20.9016000             -0.0396350
                 13.0741000              0.1442430
                  4.7147400             -0.5192870
                  1.1361200              1.5854040
                  0.5154640             -0.9082030
                  0.1067670             -1.4720020
            S    1   1.00
                  0.0392180              1.0000000
            S    1   1.00
                  0.0144000              1.0000000
            P    6   1.00
                 12.8738000              0.0299680
                  6.1475000             -0.1879300
                  1.5652400              0.4999900
                  0.7361940              0.4957320
                  0.3263170              0.1475150
                  0.1124070              0.0060880
            P    6   1.00
                 12.8738000             -0.0078010
                  6.1475000              0.0536560
                  1.5652400             -0.1719400
                  0.7361940             -0.1991700
                  0.3263170              0.0744110
                  0.1124070              0.5971370
            P    6   1.00
                 12.8738000             -0.0135020
                  6.1475000              0.0937330
                  1.5652400             -0.3159100
                  0.7361940             -0.3618000
                  0.3263170              0.4008770
                  0.1124070              0.7537660
            P    1   1.00
                  0.0391720              1.0000000
            P    1   1.00
                  0.0137000              1.0000000
            D    5   1.00
                  6.2126500             -0.0245970
                  2.7853900              0.1273340
                  1.2685100              0.3570810
                  0.5517900              0.4082070
                  0.2247310              0.2812400
            D    5   1.00
                  6.2126500              0.0261160
                  2.7853900             -0.1459400
                  1.2685100             -0.4425210
                  0.5517900             -0.1690200
                  0.2247310              0.5052370
            D    1   1.00
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            D    1   1.00
                  0.0302000              1.0000000
            F    1   1.00
                  0.8500000              1.0000000
            F    1   1.00
                  0.2719000              1.0000000
            ****
            -Rh     0
            S    7   1.00
                184.6660000              0.0006920
                 21.9974000             -0.0383930
                 13.7616000              0.1760190
                  5.0872000             -0.6299250
                  1.2294000              0.8495440
                  0.5568140              0.4457290
                  0.1140670              0.0182040
            S    7   1.00
                184.6660000             -0.0001780
                 21.9974000              0.0094560
                 13.7616000             -0.0494720
                  5.0872000              0.2018670
                  1.2294000             -0.3698090
                  0.5568140             -0.2653310
                  0.1140670              0.5891540
            S    7   1.00
                184.6660000              0.0008370
                 21.9974000             -0.0402860
                 13.7616000              0.1506490
                  5.0872000             -0.5268510
                  1.2294000              1.5723820
                  0.5568140             -0.8876430
                  0.1140670             -1.4709450
            S    1   1.00
                  0.0414150              1.0000000
            S    1   1.00
                  0.0150000              1.0000000
            P    6   1.00
                 13.6985000              0.0318210
                  6.6247600             -0.1930280
                  1.6961300              0.5062420
                  0.7973510              0.4949020
                  0.3520340              0.1440300
                  0.1233420              0.0056080
            P    6   1.00
                 13.6985000             -0.0085830
                  6.6247600              0.0568110
                  1.6961300             -0.1801720
                  0.7973510             -0.2034110
                  0.3520340              0.0848180
                  0.1233420              0.6010570
            P    6   1.00
                 13.6985000             -0.0151640
                  6.6247600              0.1011250
                  1.6961300             -0.3456410
                  0.7973510             -0.3454850
                  0.3520340              0.4221020
                  0.1233420              0.7304790
            P    1   1.00
                  0.0431300              1.0000000
            P    1   1.00
                  0.0151000              1.0000000
            D    5   1.00
                 18.7370000              0.0064810
                 11.7046000             -0.0139420
                  2.2555800              0.2506820
                  0.9494110              0.4511110
                  0.3661640              0.3839990
            D    5   1.00
                 18.7370000             -0.0075900
                 11.7046000              0.0162940
                  2.2555800             -0.3347730
                  0.9494110             -0.4463960
                  0.3661640              0.3299670
            D    1   1.00
                  0.1239770              1.0000000
            D    1   1.00
                  0.0420000              1.0000000
            F    1   1.00
                  0.9936000              1.0000000
            F    1   1.00
                  0.3222000              1.0000000
            ****
            -Pd     0
            S    7   1.00
                208.1230000              0.0007270
                 22.8525000             -0.0409280
                 14.2986000              0.1922850
                  5.4880100             -0.6501040
                  1.3253200              0.8565530
                  0.5989570              0.4438760
                  0.1209830              0.0178500
            S    7   1.00
                208.1230000             -0.0001890
                 22.8525000              0.0098180
                 14.2986000             -0.0528760
                  5.4880100              0.2035110
                  1.3253200             -0.3639350
                  0.5989570             -0.2582190
                  0.1209830              0.5704320
            S    7   1.00
                208.1230000              0.0008000
                 22.8525000             -0.0417810
                 14.2986000              0.1593620
                  5.4880100             -0.5231230
                  1.3253200              1.4917730
                  0.5989570             -0.7916960
                  0.1209830             -1.5172540
            S    1   1.00
                  0.0434590              1.0000000
            S    1   1.00
                  0.0156000              1.0000000
            P    6   1.00
                 14.0509000              0.0379970
                  7.1390600             -0.2040770
                  1.8300700              0.5137680
                  0.8583350              0.4942400
                  0.3772750              0.1402910
                  0.1256960              0.0051570
            P    6   1.00
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            -I     0
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            -Xe     0
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                 11.7533000             -0.1437480
                  4.5708900              0.2705360
                  0.9478400             -0.4015970
                  0.4340380             -0.3195670
                  0.1050310              0.6651050
            S    7   1.00
                 29.8670000              0.0324720
                 18.7203000             -0.1723550
                 11.7533000              0.3341840
                  4.5708900             -0.5725580
                  0.9478400              1.3652610
                  0.4340380             -0.6032250
                  0.1050310             -1.7315730
            S    1   1.00
                  0.0389480              1.0000000
            S    1   1.00
                  0.0144000              1.0000000
            P    6   1.00
                  7.3652400              0.1796820
                  4.7544000             -0.5211000
                  2.9959500              0.1911040
                  0.9941230              0.6464550
                  0.4196000              0.4240400
                  0.1182390              0.0425600
            P    6   1.00
                  7.3652400             -0.0508780
                  4.7544000              0.1495500
                  2.9959500             -0.0507540
                  0.9941230             -0.2483790
                  0.4196000             -0.1478010
                  0.1182390              0.5415390
            P    6   1.00
                  7.3652400             -0.0697670
                  4.7544000              0.2016550
                  2.9959500             -0.0482900
                  0.9941230             -0.4247200
                  0.4196000             -0.1275720
                  0.1182390              0.9415430
            P    1   1.00
                  0.0401010              1.0000000
            P    1   1.00
                  0.0136000              1.0000000
            D    5   1.00
                  7.5616000              0.0178690
                  4.7408700             -0.0661360
                  1.1697500              0.2554580
                  0.4793100              0.4454920
                  0.1837040              0.4029670
            D    5   1.00
                  7.5616000             -0.0205840
                  4.7408700              0.0780240
                  1.1697500             -0.3544000
                  0.4793100             -0.5155940
                  0.1837040              0.4207610
            D    1   1.00
                  0.0644090              1.0000000
            D    1   1.00
                  0.0226000              1.0000000
            F    1   1.00
                  0.3735000              1.0000000
            F    1   1.00
                  0.1286000              1.0000000
            ****
            -W     0
            S    7   1.00
                 31.1844000              0.0268990
                 19.5385000             -0.1892380
                 12.2602000              0.4339650
                  4.7203700             -0.8043720
                  1.0095700              0.9015400
                  0.4634560              0.4101950
                  0.1137920              0.0110440
            S    7   1.00
                 31.1844000             -0.0086330
                 19.5385000              0.0609770
                 12.2602000             -0.1418640
                  4.7203700              0.2797320
                  1.0095700             -0.4285050
                  0.4634560             -0.3050150
                  0.1137920              0.6713040
            S    7   1.00
                 31.1844000              0.0314780
                 19.5385000             -0.1676990
                 12.2602000              0.3282920
                  4.7203700             -0.5865250
                  1.0095700              1.4154490
                  0.4634560             -0.6488270
                  0.1137920             -1.6892530
            S    1   1.00
                  0.0416420              1.0000000
            S    1   1.00
                  0.0152000              1.0000000
            P    6   1.00
                  7.7873800              0.1852090
                  5.0493000             -0.5283120
                  3.1860200              0.1871580
                  1.0593700              0.6560130
                  0.4491060              0.4179250
                  0.1276250              0.0409650
            P    6   1.00
                  7.7873800             -0.0535080
                  5.0493000              0.1546790
                  3.1860200             -0.0504270
                  1.0593700             -0.2604500
                  0.4491060             -0.1384050
                  0.1276250              0.5459010
            P    6   1.00
                  7.7873800             -0.0749390
                  5.0493000              0.2120220
                  3.1860200             -0.0424460
                  1.0593700             -0.4793750
                  0.4491060             -0.0766750
                  0.1276250              0.9477960
            P    1   1.00
                  0.0427440              1.0000000
            P    1   1.00
                  0.0143000              1.0000000
            D    5   1.00
                  8.3098300              0.0219490
                  5.2246300             -0.0773760
                  1.2952900              0.2632410
                  0.5397610              0.4595460
                  0.2089270              0.3922120
            D    5   1.00
                  8.3098300             -0.0263810
                  5.2246300              0.0952520
                  1.2952900             -0.3960520
                  0.5397610             -0.5079960
                  0.2089270              0.5236000
            D    1   1.00
                  0.0731130              1.0000000
            D    1   1.00
                  0.0256000              1.0000000
            F    1   1.00
                  0.4769000              1.0000000
            F    1   1.00
                  0.1768000              1.0000000
            ****
            -Re     0
            S    7   1.00
                 33.0133000              0.0221330
                 20.6658000             -0.1618310
                 12.9498000              0.3812300
                  4.7782300             -0.7875220
                  1.0858000              0.8980810
                  0.5000250              0.4224690
                  0.1210690              0.0172060
            S    7   1.00
                 33.0133000             -0.0070680
                 20.6658000              0.0530520
                 12.9498000             -0.1282310
                  4.7782300              0.2853960
                  1.0858000             -0.4487810
                  0.5000250             -0.2976680
                  0.1210690              0.6634730
            S    7   1.00
                 33.0133000              0.0274240
                 20.6658000             -0.1468310
                 12.9498000              0.2908580
                  4.7782300             -0.5801000
                  1.0858000              1.4204980
                  0.5000250             -0.6321790
                  0.1210690             -1.6875030
            S    1   1.00
                  0.0438810              1.0000000
            S    1   1.00
                  0.0159000              1.0000000
            P    6   1.00
                  8.6759800              0.1394900
                  5.6538200             -0.3569770
                  1.4063900              0.4818040
                  0.6920560              0.5117960
                  0.3163520              0.1708180
                  0.1093090              0.0097820
            P    6   1.00
                  8.6759800             -0.0412390
                  5.6538200              0.1083450
                  1.4063900             -0.1688840
                  0.6920560             -0.2386860
                  0.3163520              0.0632430
                  0.1093090              0.6102210
            P    6   1.00
                  8.6759800             -0.0651350
                  5.6538200              0.1725300
                  1.4063900             -0.2649320
                  0.6920560             -0.4743410
                  0.3163520              0.3991830
                  0.1093090              0.8030920
            P    1   1.00
                  0.0385810              1.0000000
            P    1   1.00
                  0.0136000              1.0000000
            D    5   1.00
                  8.6719700              0.0171910
                  5.4414200             -0.0665390
                  1.3750800              0.2711570
                  0.5838300              0.4487710
                  0.2293620              0.3778590
            D    5   1.00
                  8.6719700             -0.0203340
                  5.4414200              0.0775390
                  1.3750800             -0.3686920
                  0.5838300             -0.4745880
                  0.2293620              0.4599950
            D    1   1.00
                  0.0808850              1.0000000
            D    1   1.00
                  0.0285000              1.0000000
            F    1   1.00
                  0.5533000              1.0000000
            F    1   1.00
                  0.2126000              1.0000000
            ****
            -Os     0
            S    7   1.00
                 34.5933000              0.0194050
                 21.6442000             -0.1468750
                 13.5521000              0.3551890
                  4.8950800             -0.7883690
                  1.1634600              0.9033000
                  0.5380840              0.4302560
                  0.1306730              0.0181640
            S    7   1.00
                 34.5933000             -0.0059240
                 21.6442000              0.0475810
                 13.5521000             -0.1198590
                  4.8950800              0.2905900
                  1.1634600             -0.4633260
                  0.5380840             -0.2910580
                  0.1306730              0.6489970
            S    7   1.00
                 34.5933000              0.0286790
                 21.6442000             -0.1533520
                 13.5521000              0.3066570
                  4.8950800             -0.6590400
                  1.1634600              1.6880660
                  0.5380840             -0.9098660
                  0.1306730             -1.5178370
            S    1   1.00
                  0.0469820              1.0000000
            S    1   1.00
                  0.0169000              1.0000000
            P    6   1.00
                  9.1259400              0.1316100
                  5.8907300             -0.3487910
                  1.4397800              0.5276330
                  0.6929760              0.5000040
                  0.3084380              0.1387070
                  0.1086800              0.0055910
            P    6   1.00
                  9.1259400             -0.0379630
                  5.8907300              0.1036120
                  1.4397800             -0.1857190
                  0.6929760             -0.2213770
                  0.3084380              0.0960590
                  0.1086800              0.6029380
            P    6   1.00
                  9.1259400             -0.0676070
                  5.8907300              0.1858450
                  1.4397800             -0.3480470
                  0.6929760             -0.4511480
                  0.3084380              0.5586130
                  0.1086800              0.7068530
            P    1   1.00
                  0.0381830              1.0000000
            P    1   1.00
                  0.0134000              1.0000000
            D    5   1.00
                  9.3395000              0.0158420
                  5.8557100             -0.0635100
                  1.4647600              0.2828700
                  0.6312200              0.4507810
                  0.2506620              0.3664550
            D    5   1.00
                  9.3395000             -0.0209240
                  5.8557100              0.0807150
                  1.4647600             -0.4242800
                  0.6312200             -0.4620180
                  0.2506620              0.5555660
            D    1   1.00
                  0.0891640              1.0000000
            D    1   1.00
                  0.0317000              1.0000000
            F    1   1.00
                  0.6278000              1.0000000
            F    1   1.00
                  0.2478000              1.0000000
            ****
            -Ir     0
            S    7   1.00
                 36.0577000              0.0172890
                 22.5516000             -0.1359910
                 14.1116000              0.3386690
                  5.0447500             -0.7941690
                  1.2441700              0.9080010
                  0.5769240              0.4378070
                  0.1394660              0.0187690
            S    7   1.00
                 36.0577000             -0.0049480
                 22.5516000              0.0431240
                 14.1116000             -0.1138030
                  5.0447500              0.2953180
                  1.2441700             -0.4732180
                  0.5769240             -0.2840000
                  0.1394660              0.6351880
            S    7   1.00
                 36.0577000              0.0290550
                 22.5516000             -0.1546790
                 14.1116000              0.3116730
                  5.0447500             -0.7039290
                  1.2441700              1.8161160
                  0.5769240             -1.0291110
                  0.1394660             -1.4393180
            S    1   1.00
                  0.0497400              1.0000000
            S    1   1.00
                  0.0177000              1.0000000
            P    6   1.00
                  9.5858000              0.1256510
                  6.1408800             -0.3433060
                  1.4976000              0.5536780
                  0.7141440              0.4910420
                  0.3120660              0.1228370
                  0.1151600              0.0033780
            P    6   1.00
                  9.5858000             -0.0379390
                  6.1408800              0.1069870
                  1.4976000             -0.2083670
                  0.7141440             -0.2217720
                  0.3120660              0.1266520
                  0.1151600              0.6103680
            P    6   1.00
                  9.5858000             -0.0740030
                  6.1408800              0.2101790
                  1.4976000             -0.4612670
                  0.7141440             -0.3768670
                  0.3120660              0.6521120
                  0.1151600              0.6073860
            P    1   1.00
                  0.0412770              1.0000000
            P    1   1.00
                  0.0148000              1.0000000
            D    5   1.00
                  9.9606900              0.0154630
                  6.2430300             -0.0631200
                  1.5631700              0.2923090
                  0.6819400              0.4527480
                  0.2734460              0.3571590
            D    5   1.00
                  9.9606900             -0.0198010
                  6.2430300              0.0777020
                  1.5631700             -0.4252400
                  0.6819400             -0.4331870
                  0.2734460              0.4752470
            D    1   1.00
                  0.0980080              1.0000000
            D    1   1.00
                  0.0351000              1.0000000
            F    1   1.00
                  0.7127000              1.0000000
            F    1   1.00
                  0.2898000              1.0000000
            ****
            -Pt     0
            S    7   1.00
                 37.3750000              0.0156980
                 23.3685000             -0.1285150
                 14.6164000              0.3299960
                  5.2209620             -0.8039770
                  1.3267320              0.9127650
                  0.6163210              0.4444260
                  0.1480680              0.0192250
            S    7   1.00
                 37.3750000             -0.0041400
                 23.3685000              0.0396870
                 14.6164000             -0.1100630
                  5.2209620              0.3003960
                  1.3267320             -0.4809750
                  0.6163210             -0.2769970
                  0.1480680              0.6216130
            S    7   1.00
                 37.3750000              0.0303040
                 23.3685000             -0.1595530
                 14.6164000              0.3222870
                  5.2209620             -0.7469090
                  1.3267320              1.9183060
                  0.6163210             -1.1164460
                  0.1480680             -1.3836520
            S    1   1.00
                  0.0523910              1.0000000
            S    1   1.00
                  0.0185000              1.0000000
            P    6   1.00
                  9.9926800              0.1240460
                  6.3831700             -0.3446320
                  1.5696500              0.5711200
                  0.7427790              0.4873560
                  0.3180200              0.1119590
                  0.1141460              0.0019280
            P    6   1.00
                  9.9926800             -0.0346870
                  6.3831700              0.0999320
                  1.5696500             -0.2018840
                  0.7427790             -0.1984590
                  0.3180200              0.1230340
                  0.1141460              0.5955770
            P    6   1.00
                  9.9926800             -0.0771530
                  6.3831700              0.2234940
                  1.5696500             -0.5228040
                  0.7427790             -0.3298980
                  0.3180200              0.7297730
                  0.1141460              0.5372880
            P    1   1.00
                  0.0398630              1.0000000
            P    1   1.00
                  0.0139000              1.0000000
            D    5   1.00
                 10.4126000              0.0150800
                  6.5226600             -0.0622950
                  1.6643000              0.3006490
                  0.7342080              0.4539610
                  0.2974070              0.3490010
            D    5   1.00
                 10.4126000             -0.0198660
                  6.5226600              0.0796630
                  1.6643000             -0.4687940
                  0.7342080             -0.4051740
                  0.2974070              0.5192890
            D    1   1.00
                  0.1075990              1.0000000
            D    1   1.00
                  0.0389000              1.0000000
            F    1   1.00
                  0.8018000              1.0000000
            F    1   1.00
                  0.3357000              1.0000000
            ****
            -Au     0
            S    8   1.00
                 38.0008000              0.0200090
                 23.9725000             -0.1516790
                 15.2182000              0.3639600
                  5.5399900             -0.8213260
                  1.3855100              0.9366410
                  0.6424610              0.4235270
                  0.1564960              0.0162500
                  0.0549100             -0.0009780
            S    8   1.00
                 38.0008000             -0.0053040
                 23.9725000              0.0463180
                 15.2182000             -0.1199400
                  5.5399900              0.3040620
                  1.3855100             -0.4945010
                  0.6424610             -0.2555160
                  0.1564960              0.6091630
                  0.0549100              0.5977670
            S    8   1.00
                 38.0008000              0.0323400
                 23.9725000             -0.1717620
                 15.2182000              0.3395030
                  5.5399900             -0.7461790
                  1.3855100              1.9174980
                  0.6424610             -1.1299310
                  0.1564960             -1.3662840
                  0.0549100              1.4423910
            S    1   1.00
                  0.0549100              1.0000000
            S    1   1.00
                  0.0193000              1.0000000
            P    7   1.00
                 10.3092000              0.1282170
                  6.6276500             -0.3537900
                  1.6744700              0.5662110
                  0.8011160              0.4931710
                  0.3468790              0.1137750
                  0.1227010              0.0025340
                  0.0424280              0.0006790
            P    7   1.00
                 10.3092000             -0.0358850
                  6.6276500              0.1028900
                  1.6744700             -0.2009880
                  0.8011160             -0.2010450
                  0.3468790              0.1165490
                  0.1227010              0.5949690
                  0.0424280              0.4555200
            P    7   1.00
                 10.3092000             -0.0772420
                  6.6276500              0.2226110
                  1.6744700             -0.4953530
                  0.8011160             -0.3607470
                  0.3468790              0.7100000
                  0.1227010              0.5688390
                  0.0424280              0.0011930
            P    1   1.00
                  0.0424280              1.0000000
            P    1   1.00
                  0.0147000              1.0000000
            D    6   1.00
                 11.0027000              0.0164670
                  6.8916600             -0.0680130
                  1.8080800              0.2994920
                  0.8210510              0.4543030
                  0.3441610              0.3442240
                  0.1297430              0.1212560
            D    6   1.00
                 11.0027000             -0.0236280
                  6.8916600              0.0956720
                  1.8080800             -0.5412940
                  0.8210510             -0.3955330
                  0.3441610              0.6191650
                  0.1297430              0.4682760
            D    1   1.00
                  0.1297430              1.0000000
            D    1   1.00
                  0.0489000              1.0000000
            F    1   1.00
                  0.8919000              1.0000000
            F    1   1.00
                  0.3789000              1.0000000
            ****
            -Hg     0
            S    8   1.00
                 41.4804000              0.0100720
                 22.5328000             -0.1147810
                 14.0790000              0.3564080
                  5.7247400             -0.8484430
                  1.4794800              0.9405960
                  0.6882660              0.4353290
                  0.1641810              0.0131780
                  0.0572230             -0.0023140
            S    8   1.00
                 41.4804000              0.0020320
                 22.5328000             -0.0323140
                 14.0790000              0.1153500
                  5.7247400             -0.3177630
                  1.4794800              0.5135230
                  0.6882660              0.2500500
                  0.1641810             -0.6488410
                  0.0572230             -0.5599430
            S    8   1.00
                 41.4804000              0.0218280
                 22.5328000             -0.1555640
                 14.0790000              0.3860250
                  5.7247400             -0.8961040
                  1.4794800              2.3321950
                  0.6882660             -1.5976600
                  0.1641810             -1.0536460
                  0.0572230              1.2895360
            S    1   1.00
                  0.0572230              1.0000000
            S    1   1.00
                  0.0199000              1.0000000
            P    7   1.00
                 10.5805000              0.1286920
                  6.8053900             -0.3608420
                  1.7901600              0.5641170
                  0.8622610              0.5002740
                  0.3752770              0.1137850
                  0.1284210              0.0029390
                  0.0434470              0.0004880
            P    7   1.00
                 10.5805000             -0.0344430
                  6.8053900              0.1009290
                  1.7901600             -0.1924390
                  0.8622610             -0.1960690
                  0.3752770              0.1042040
                  0.1284210              0.5873870
                  0.0434470              0.4727830
            P    7   1.00
                 10.5805000              0.0714680
                  6.8053900             -0.2108590
                  1.7901600              0.4452040
                  0.8622610              0.3916080
                  0.3752770             -0.6670830
                  0.1284210             -0.6195740
                  0.0434470             -0.0009090
            P    1   1.00
                  0.0434470              1.0000000
            P    1   1.00
                  0.0147000              1.0000000
            D    6   1.00
                 11.5841000              0.0167290
                  7.2487900             -0.0695580
                  1.9366200              0.3034370
                  0.8987480              0.4548780
                  0.3869310              0.3368080
                  0.1504660              0.1130160
            D    6   1.00
                 11.5841000             -0.0249840
                  7.2487900              0.1041030
                  1.9366200             -0.6169860
                  0.8987480             -0.3538260
                  0.3869310              0.6872800
                  0.1504660              0.3930900
            D    1   1.00
                  0.1504660              1.0000000
            D    1   1.00
                  0.0585000              1.0000000
            F    1   1.00
                  0.9974000              1.0000000
            F    1   1.00
                  0.4377000              1.0000000
            ****
            -Tl     0
            S    8   1.00
                 36.1096000              0.0229790
                 22.5732000             -0.1728970
                 14.1144000              0.4807030
                  6.1597600             -0.9532140
                  1.5706900              0.9608670
                  0.7459610              0.4319720
                  0.1958840              0.0131990
                  0.0710030             -0.0021060
            S    8   1.00
                 36.1096000              0.0059010
                 22.5732000             -0.0544410
                 14.1144000              0.1709120
                  6.1597600             -0.3868060
                  1.5706900              0.5717530
                  0.7459610              0.2895580
                  0.1958840             -0.7163850
                  0.0710030             -0.5289600
            S    1   1.00
                  0.1958840              1.0000000
            S    1   1.00
                  0.0710030              1.0000000
            S    1   1.00
                  0.0206000              1.0000000
            P    6   1.00
                 10.3856000              0.1621170
                  7.0093900             -0.4046950
                  1.7768800              0.6949780
                  0.7479420              0.4664960
                  0.1768080              0.0280130
                  0.0515320             -0.0041730
            P    6   1.00
                 10.3856000             -0.0391990
                  7.0093900              0.1017260
                  1.7768800             -0.2199420
                  0.7479420             -0.1194500
                  0.1768080              0.4597680
                  0.0515320              0.6763890
            P    1   1.00
                  0.0515320              1.0000000
            P    1   1.00
                  0.0130000              1.0000000
            D    6   1.00
                 10.9087000              0.0217120
                  6.8364900             -0.0832690
                  1.9974900              0.3418070
                  0.9144720              0.4833160
                  0.3895180              0.3047550
                  0.1501000              0.0649830
            D    1   1.00
                  0.1501000              1.0000000
            D    1   1.00
                  0.0437000              1.0000000
            ****
            -Pb     0
            S    8   1.00
                 37.4583000              0.0248240
                 23.3170000             -0.1810620
                 14.5759000              0.5007060
                  6.4337600             -0.9797370
                  1.6671900              0.9666300
                  0.8077320              0.4364870
                  0.2270840              0.0136860
                  0.0842520             -0.0020210
            S    8   1.00
                 37.4583000              0.0067850
                 23.3170000             -0.0601870
                 14.5759000              0.1889710
                  6.4337600             -0.4248380
                  1.6671900              0.6220350
                  0.8077320              0.3160880
                  0.2270840             -0.7594740
                  0.0842520             -0.5151310
            S    1   1.00
                  0.2270840              1.0000000
            S    1   1.00
                  0.0842520              1.0000000
            S    1   1.00
                  0.0278000              1.0000000
            P    6   1.00
                 10.6186000              0.1701740
                  7.1878100             -0.4241790
                  1.8943900              0.6934430
                  0.8167090              0.4737730
                  0.2036880              0.0290470
                  0.0649730             -0.0043860
            P    6   1.00
                 10.6186000             -0.0479540
                  7.1878100              0.1245560
                  1.8943900             -0.2597760
                  0.8167090             -0.1414800
                  0.2036880              0.5317690
                  0.0649730              0.6087590
            P    1   1.00
                  0.0649730              1.0000000
            P    1   1.00
                  0.0197000              1.0000000
            D    6   1.00
                 13.7266000              0.0107870
                  6.9898300             -0.0666500
                  2.1735200              0.3342590
                  1.0281200              0.4826840
                  0.4558570              0.3004140
                  0.1822000              0.0632580
            D    1   1.00
                  0.1822000              1.0000000
            D    1   1.00
                  0.0609000              1.0000000
            ****
            -Bi     0
            S    8   1.00
                211.8210000              0.0010880
                 21.3262000             -0.1058620
                 13.3654000              0.5308080
                  6.9461000             -1.0502650
                  1.7122900              0.9958560
                  0.8391070              0.3989520
                  0.2553640              0.0117780
                  0.0967000             -0.0014700
            S    8   1.00
                211.8210000              0.0004220
                 21.3262000             -0.0385370
                 13.3654000              0.2172380
                  6.9461000             -0.4810970
                  1.7122900              0.7015950
                  0.8391070              0.2905200
                  0.2553640             -0.7997780
                  0.0967000             -0.4961310
            S    1   1.00
                  0.2553640              1.0000000
            S    1   1.00
                  0.0967000              1.0000000
            S    1   1.00
                  0.0317000              1.0000000
            P    6   1.00
                 11.0644000              0.1672490
                  7.4500000             -0.4252620
                  2.0106900              0.6925250
                  0.8883210              0.4753740
                  0.2363690              0.0298590
                  0.0792900             -0.0044930
            P    6   1.00
                 11.0644000             -0.0522010
                  7.4500000              0.1390830
                  2.0106900             -0.2935560
                  0.8883210             -0.1585740
                  0.2363690              0.5743620
                  0.0792900              0.5726780
            P    1   1.00
                  0.0792900              1.0000000
            P    1   1.00
                  0.0254000              1.0000000
            D    6   1.00
                 16.2461000              0.0078080
                  6.9836300             -0.0668310
                  2.3747600              0.3241400
                  1.1537200              0.4858310
                  0.5259740              0.3010560
                  0.2151000              0.0631960
            D    1   1.00
                  0.2151000              1.0000000
            D    1   1.00
                  0.0745000              1.0000000
            ****
            -Po     0
            S    8   1.00
                295.3900000              0.0013830
                 21.2683000             -0.1050610
                 13.3379000              0.5914250
                  7.3652100             -1.1156970
                  1.7892000              1.0191620
                  0.8849940              0.3798790
                  0.2857870              0.0107810
                  0.1093240             -0.0011440
            S    8   1.00
                295.3900000              0.0006830
                 21.2683000             -0.0385730
                 13.3379000              0.2519580
                  7.3652100             -0.5330160
                  1.7892000              0.7669010
                  0.8849940              0.2818780
                  0.2857870             -0.8394770
                  0.1093240             -0.4792720
            S    1   1.00
                  0.2857870              1.0000000
            S    1   1.00
                  0.1093240              1.0000000
            S    1   1.00
                  0.0359000              1.0000000
            P    6   1.00
                 11.5069000              0.1663640
                  7.7299100             -0.4272350
                  2.1189400              0.6969640
                  0.9553230              0.4713590
                  0.2683520              0.0299870
                  0.0884940             -0.0034870
            P    6   1.00
                 11.5069000             -0.0559100
                  7.7299100              0.1511230
                  2.1189400             -0.3261600
                  0.9553230             -0.1614090
                  0.2683520              0.6016150
                  0.0884940              0.5559720
            P    1   1.00
                  0.0884940              1.0000000
            P    1   1.00
                  0.0278000              1.0000000
            D    6   1.00
                 18.7130000              0.0066940
                  7.0570800             -0.0671040
                  2.5506200              0.3257980
                  1.2506900              0.4957630
                  0.5742560              0.2931060
                  0.2330000              0.0541620
            D    1   1.00
                  0.2330000              1.0000000
            D    1   1.00
                  0.0895000              1.0000000
            ****
            -At     0
            S    8   1.00
                304.0310000              0.0010310
                 22.4085000             -0.1018690
                 14.0490000              0.5632730
                  7.5895000             -1.1045120
                  1.8949400              1.0263640
                  0.9523580              0.3833240
                  0.3170410              0.0113590
                  0.1224900             -0.0011400
            S    8   1.00
                304.0310000              0.0004960
                 22.4085000             -0.0387430
                 14.0490000              0.2490070
                  7.5895000             -0.5516910
                  1.8949400              0.8155580
                  0.9523580              0.2868020
                  0.3170410             -0.8682780
                  0.1224900             -0.4694960
            S    1   1.00
                  0.3170410              1.0000000
            S    1   1.00
                  0.1224900              1.0000000
            S    1   1.00
                  0.0404000              1.0000000
            P    6   1.00
                 12.0093000              0.1631810
                  8.0330000             -0.4244130
                  2.2239300              0.7031340
                  1.0213300              0.4641680
                  0.3012660              0.0302600
                  0.0999030             -0.0026180
            P    6   1.00
                 12.0093000             -0.0583630
                  8.0330000              0.1606310
                  2.2239300             -0.3589420
                  1.0213300             -0.1621230
                  0.3012660              0.6248880
                  0.0999030              0.5397840
            P    1   1.00
                  0.0999030              1.0000000
            P    1   1.00
                  0.0313000              1.0000000
            D    6   1.00
                 21.3084000              0.0061410
                  7.0207600             -0.0706690
                  2.7689800              0.3190200
                  1.3731400              0.5044700
                  0.6368040              0.2924810
                  0.2593000              0.0514950
            D    1   1.00
                  0.2593000              1.0000000
            D    1   1.00
                  0.1073000              1.0000000
            ****
            -Rn     0
            S    8   1.00
                383.5850000              0.0015720
                 23.2936000             -0.0761810
                 14.6096000              0.4785080
                  7.7319900             -1.0439020
                  1.9942400              1.0190710
                  1.0240700              0.3914520
                  0.3454220              0.0127820
                  0.1350810             -0.0012970
            S    8   1.00
                383.5850000              0.0009020
                 23.2936000             -0.0265350
                 14.6096000              0.2148510
                  7.7319900             -0.5453780
                  1.9942400              0.8694020
                  1.0240700              0.2728620
                  0.3454220             -0.8929670
                  0.1350810             -0.4539150
            S    1   1.00
                  0.3454220              1.0000000
            S    1   1.00
                  0.1350810              1.0000000
            S    1   1.00
                  0.0449000              1.0000000
            P    6   1.00
                 12.4992000              0.1629940
                  8.3397600             -0.4262290
                  2.3359100              0.7107760
                  1.0901900              0.4580860
                  0.3348980              0.0292130
                  0.1125460             -0.0031070
            P    6   1.00
                 12.4992000             -0.0609340
                  8.3397600              0.1694830
                  2.3359100             -0.3880550
                  1.0901900             -0.1612760
                  0.3348980              0.6446740
                  0.1125460              0.5255260
            P    1   1.00
                  0.1125460              1.0000000
            P    1   1.00
                  0.0348000              1.0000000
            D    6   1.00
                 24.1705000              0.0058780
                  6.9459900             -0.0765200
                  3.0380900              0.3071660
                  1.5168400              0.5141680
                  0.7091570              0.2972850
                  0.2888000              0.0512000
            D    1   1.00
                  0.2888000              1.0000000
            D    1   1.00
                  0.1251000              1.0000000
            ****
            
            -Y     0
            Y-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2      7.85827500           135.13497400
            2      3.38212800            15.41163200
            p-g potential
              4
            2      6.84979100            29.25143700
            2      6.71009200            58.50836300
            2      3.04215900             3.78024300
            2      2.93733000             7.67654700
            d-g potential
              4
            2      5.41631500            11.84991100
            2      5.33341600            17.77810300
            2      1.97621200             2.06238300
            2      1.96111100             3.07565000
            f-g potential
              2
            2      5.02859000            -6.92807800
            2      5.00558200            -9.15509900
            -ZR     0
            ZR-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2      8.63652800           150.24299400
            2      3.71763900            18.78003600
            p-g potential
              4
            2      7.62672800            33.19279100
            2      7.45320700            66.38903900
            2      3.35838900             4.62072600
            2      3.22973800             9.26027000
            d-g potential
              4
            2      5.93808600            13.99338300
            2      5.82554400            20.99588200
            2      2.20501900             2.28516600
            2      2.20629200             3.44126000
            f-g potential
              2
            2      4.80021500            -5.23932000
            2      4.79899200            -6.98742400
            -NB     0
            NB-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2      9.37657800           165.15673600
            2      4.04357200            21.82395100
            p-g potential
              4
            2      8.36360900            37.24928400
            2      8.16689800            74.50738900
            2      3.69307500             5.43948600
            2      3.55104700            10.91325200
            d-g potential
              4
            2      6.68910800            15.21454900
            2      6.53719300            22.83350800
            2      2.55111800             3.00005200
            2      2.56789600             4.55373400
            f-g potential
              2
            2      5.56828500            -6.28135400
            2      5.67137200            -8.75564400
            -MO     0
            MO-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2     10.09700000           180.07685300
            2      4.37567000            24.71592000
            p-g potential
              4
            2      9.12656400            41.22767800
            2      8.86322300            82.45267000
            2      4.04494800             6.34509200
            2      3.86665700            12.45842300
            d-g potential
              4
            2      7.53575400            19.30874400
            2      7.27897600            28.97767400
            2      2.76320500             3.18951600
            2      2.77208500             4.70016900
            f-g potential
              2
            2      6.30663300            -7.17888800
            2      6.35644800            -9.74597800
            -TC     0
            TC-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2     10.79936900           195.09130300
            2      4.70725700            27.34041300
            p-g potential
              4
            2      9.82669900            45.06081200
            2      9.56111500            90.11729500
            2      4.37857800             7.07051700
            2      4.19090700            14.04801900
            d-g potential
              4
            2      8.33604500            21.65775500
            2      8.24453300            32.47195900
            2      3.09370700             3.78952500
            2      3.16872200             6.05343000
            f-g potential
              2
            2      7.04094000            -7.99562300
            2      7.06947300           -10.74569600
            -RU     0
            RU-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2     11.50059000           209.78649300
            2      5.06857500            30.21430700
            p-g potential
              4
            2     10.53263400            48.75124400
            2     10.19201000            97.49652900
            2      4.73489200             7.86018800
            2      4.50906500            15.32975100
            d-g potential
              4
            2      8.87797700            26.96750600
            2      8.76612200            40.43230300
            2      3.17019600             3.34075800
            2      3.22885100             5.25635200
            f-g potential
              2
            2      7.82024900            -8.84752500
            2      7.83964700           -11.83551800
            -RH     0
            RH-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2     12.19481600           225.31205400
            2      5.40513700            32.44158200
            p-g potential
              4
            2     11.28075500            52.87282600
            2     10.92724800           105.74552600
            2      5.09011700             8.61934400
            2      4.85183200            16.97345900
            d-g potential
              4
            2      9.13633700            25.10850100
            2      8.96480800            37.69573100
            2      3.64361200             4.20258400
            2      3.63600700             6.29279000
            f-g potential
              2
            2      8.61622800            -9.67356800
            2      8.62943500           -12.89984700
            -PD     0
            PD-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2     12.79882500           240.26278900
            2      5.80052800            34.72996100
            p-g potential
              4
            2     11.87469700            56.74692900
            2     11.47433500           113.44441700
            2      5.51599900             9.34563900
            2      5.24804300            18.34544700
            d-g potential
              4
            2      8.50221200            28.59555400
            2      7.98332400            43.45392100
            2      3.10762800             1.85228600
            2      2.47673400             1.40676500
            f-g potential
              2
            2      9.67957100           -10.98725500
            2      9.69134900           -14.62619000
            -AG     0
            AG-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2     12.5677140            255.0547710
            2      6.9976620             36.9833930
            p-g potential
              4
            2     11.3164960             60.7157050
            2     10.9580630            121.4438890
            2      7.1114000             10.1718660
            2      6.7733190             20.4865640
            d-g potential
              4
            2      8.9284370             29.5049380
            2     11.1025670             44.0187360
            2      5.5432120              5.3683330
            2      3.9288350              7.4083750
            f-g potential
              2
            2     11.0129130            -12.6234030
            2     11.0198980            -16.7643270
            -CD     0
            CD-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2     13.3551760            270.0394480
            2      7.3083780             38.8777660
            p-g potential
              4
            2     12.6597280             64.6074700
            2     12.2896390            129.2194450
            2      6.7861760             10.6225580
            2      6.4007430             21.2650460
            d-g potential
              4
            2     11.1617220             31.6639650
            2     11.2196150             47.4892160
            2      4.5377330              5.1862000
            2      4.3357270              7.5660630
            f-g potential
              2
            2     11.4789860            -12.6327850
            2     11.4870270            -16.7601710
            -IN     0
            IN-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2     15.3928220            281.1223500
            2      8.0558640             61.9014700
            p-g potential
              4
            2     13.9286720             67.4621540
            2     13.3472340            134.9492500
            2      7.6141320             14.7461400
            2      7.3183650             29.6392620
            d-g potential
              4
            2     14.0347150             35.4932540
            2     14.5116160             53.1787730
            2      5.5505500              9.1772810
            2      5.0594150             12.3924100
            f-g potential
              2
            2     12.5390560            -13.7280780
            2     12.5525610            -18.2068660
            -SN     0
            SN-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2     17.4204140            279.9886820
            2      7.6311550             62.3778100
            p-g potential
              4
            2     16.1310240             66.1625230
            2     15.6280770            132.1743960
            2      7.3256080             16.3394170
            2      6.9425190             32.4889590
            d-g potential
              4
            2     15.5149760             36.3874410
            2     15.1881600             54.5078410
            2      5.4560240              8.6968230
            2      5.3631050             12.8402080
            f-g potential
              2
            2     12.2823480            -12.5763330
            2     12.2721500            -16.5959440
            -SB     0
            SB-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2     16.3308650            281.0715810
            2      8.5565420             61.7166040
            p-g potential
              4
            2     14.4703370             67.4573800
            2     13.8161940            134.9335030
            2      8.4249240             14.7163440
            2      8.0927280             29.5185120
            d-g potential
              4
            2     14.8863310             35.4478150
            2     15.1463190             53.1434660
            2      5.9082670              9.1792230
            2      5.5943220             13.2402530
            f-g potential
              2
            2     14.4449780            -15.3668010
            2     14.4492950            -20.2961380
            -TE     0
            TE-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2     16.8144730            281.0458430
            2      8.7935260             61.6206560
            p-g potential
              4
            2     14.8778010             67.4494640
            2     14.2697310            134.9043040
            2      8.7244350             14.6895470
            2      8.2915150             29.4150630
            d-g potential
              4
            2     15.2050080             35.4320570
            2     15.2258480             53.1356870
            2      6.0717690              9.0698020
            2      5.8047600             13.1223040
            f-g potential
              2
            2     15.2061680            -15.7454500
            2     15.2017020            -20.7424480
            -I     0
            I-ECP     4     28
            g potential
              1
            2      1.00000000             0.00000000
            s-g potential
              3
            2     40.03337600            49.98964900
            2     17.30057600           281.00655600
            2      8.85172000            61.41673900
            p-g potential
              4
            2     15.72014100            67.41623900
            2     15.20822200           134.80769600
            2      8.29418600            14.56654800
            2      7.75394900            28.96842200
            d-g potential
              4
            2     13.81775100            35.53875600
            2     13.58780500            53.33975900
            2      6.94763000             9.71646600
            2      6.96009900            14.97750000
            f-g potential
              4
            2     18.52295000           -20.17661800
            2     18.25103500           -26.08807700
            2      7.55790100            -0.22043400
            2      7.59740400            -0.22164600
            -XE     0
            XE-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              3
            2     40.0051840             49.9979620
            2     17.8122140            281.0133030
            2      9.3041500             61.5382550
            p-g potential
              4
            2     15.7017720             67.4391420
            2     15.2586080            134.8747110
            2      9.2921840             14.6633000
            2      8.5590030             29.3547300
            d-g potential
              6
            2     15.1856000             35.4369080
            2     14.2845000             53.1957720
            2      7.1218890              9.0462320
            2      6.9919630             13.2236810
            2      0.6239460              0.0848530
            2      0.6472840              0.0441550
            f-g potential
              4
            2     20.8815570            -23.0892950
            2     20.7834430            -30.0744750
            2      5.2533890             -0.2882270
            2      5.3611880             -0.3869240
            -HF     0
            HF-ECP     5     60
            h potential
              1
            2      1.00000000             0.00000000
            s-h potential
              3
            2     10.24885600           478.23740400
            4     10.72912700             0.38802400
            2      1.96485600            -1.07123200
            p-h potential
              6
            2      8.68346200           101.04681800
            2      7.91692000           212.19776100
            4      9.37924300             0.13264600
            4      8.24420900             0.45310800
            2      1.59668600            -0.40791400
            2      1.71028100            -0.56181700
            d-h potential
              6
            2      5.18955700            43.11546700
            2      5.25322900            65.93473200
            4      5.93787100             0.02591200
            4      5.71290600             0.03374100
            2      1.01485600            -0.28057900
            2      0.47371200            -0.08484900
            f-h potential
              2
            2      1.91260800             4.81180100
            2      1.88074000             6.41857400
            g-h potential
              2
            2      2.72418000            -4.63658500
            2      2.70895300            -5.76728800
            -TA     0
            TA-ECP     5     60
            h potential
              1
            2      1.00000000             0.00000000
            s-h potential
              3
            2     10.31806900           454.60064900
            4     10.54026700             2.83797500
            2      2.57472600            -0.81473600
            p-h potential
              6
            2      8.74334200            96.91078300
            2      7.91622300           195.85043200
            4      9.27573600             4.81252400
            4      8.10167500             6.33851200
            2      2.07712700            -0.45917300
            2      2.75037200            -0.64458600
            d-h potential
              6
            2      5.44731400            45.96997600
            2      5.21254500            69.63897200
            4      5.88435800             0.80293300
            4      5.64957900             0.42959500
            2      1.38818000            -0.30722700
            2      1.29439800            -0.46156000
            f-h potential
              2
            2      2.16127500             5.75777300
            2      2.12593900             7.67816700
            g-h potential
              2
            2      3.14592000            -5.68406600
            2      3.12794200            -7.06231300
            -W     0
            W-ECP     5     60
            h potential
              1
            2      1.00000000             0.00000000
            s-h potential
              2
            2     11.06379500           419.22759900
            2      8.21764100            41.19130700
            p-h potential
              6
            2      9.33818800           107.34811000
            2      8.43044800           214.69956800
            4      9.49002000             0.02544200
            4      9.48994700             0.05189500
            2      1.88299700            -0.11718400
            2      1.90697200             0.29668900
            d-h potential
              6
            2      6.20543300            58.88127900
            2      6.12215700            98.68355600
            4      6.27455600             0.01953700
            4      6.22637500             0.02195600
            2      1.96387500            -0.08857700
            2      1.88828700            -0.20972600
            f-h potential
              2
            2      2.30795300             6.23247200
            2      2.27060900             8.31134500
            g-h potential
              2
            2      3.58349100            -6.80294400
            2      3.56251500            -8.44323200
            -RE     0
            RE-ECP     5     60
            h potential
              1
            2      1.00000000             0.00000000
            s-h potential
              2
            2     12.16381400           421.97030000
            2      7.10759500            50.13443900
            p-h potential
              4
            2      9.68459700            88.48191000
            2      9.47621400           176.78722000
            2      7.66806600            10.43433800
            2      5.05515600            20.45874300
            d-h potential
              4
            2      6.50988800            43.16243100
            2      6.09121600            64.76775900
            2      4.16400600             5.34030100
            2      4.40737900             8.24333200
            f-h potential
              2
            2      2.56265800             7.24454300
            2      2.52154900             9.65926600
            g-h potential
              2
            2      4.03459900            -7.97494000
            2      4.00962800            -9.88273600
            -OS     0
            OS-ECP     5     60
            h potential
              1
            2      1.00000000             0.00000000
            s-h potential
              2
            2     13.00200100           424.39037600
            2      6.96276300            57.12250300
            p-h potential
              4
            2     10.49894100            88.27900300
            2      9.99252300           176.48606400
            2      6.58824800            11.71501200
            2      5.03716700            22.91500600
            d-h potential
              4
            2      7.08344100            44.77770800
            2      6.72117900            67.15364800
            2      3.79462600             5.55038700
            2      3.74812500             8.22010400
            f-h potential
              2
            2      2.82627600             8.32833200
            2      2.78119800            11.10310200
            g-h potential
              2
            2      4.49698100            -9.18134300
            2      4.46773800           -11.36160400
            -IR     0
            IR-ECP     5     60
            h potential
              1
            2      1.00000000             0.00000000
            s-h potential
              2
            2     13.83147400           426.95814900
            2      7.04791400            65.33881300
            p-h potential
              4
            2     11.10643300            88.07544200
            2     10.45655200           176.12477000
            2      6.37961400            12.68226000
            2      5.06472600            24.63594900
            d-h potential
              4
            2      7.54875400            46.43325800
            2      7.26530800            69.63807400
            2      3.80096900             6.15024800
            2      3.71828000             9.46356000
            f-h potential
              2
            2      3.09870600             9.48361000
            2      3.04946100            12.64274200
            g-h potential
              2
            2      4.96979000           -10.41069700
            2      4.93561400           -12.86319600
            -PT     0
            PT-ECP     5     60
            h potential
              1
            2      1.00000000             0.00000000
            s-h potential
              2
            2     14.60450000           429.64608700
            2      7.21828700            73.15688400
            p-h potential
              4
            2     11.57716200            88.02291700
            2     10.88384300           175.99819600
            2      6.42440300            13.68227400
            2      5.22419800            27.41465100
            d-h potential
              4
            2      7.69961000            43.55785200
            2      7.55080800            65.36910800
            2      3.96116400             7.01859600
            2      3.87277700            11.39173300
            f-h potential
              2
            2      3.37986900            10.71022000
            2      3.32625500            14.27812500
            g-h potential
              2
            2      5.45202000           -11.65174900
            2      5.41258500           -14.37552500
            -AU     0
            AU-ECP     5     60
            h potential
              1
            2      1.0000000              0.0000000
            s-h potential
              2
            2     13.5232180            426.6418670
            2      6.2643840             36.8006680
            p-h potential
              4
            2     11.4138670             87.0020910
            2     10.3292150            174.0043700
            2      5.7074240              8.8706100
            2      4.8281650             17.9024380
            d-h potential
              4
            2      7.4309630             49.8836550
            2      8.3219900             74.6845490
            2      4.6096420              6.4862270
            2      3.5115070              9.5468210
            f-h potential
              2
            2      3.0846390              8.7916400
            2      3.0247430             11.6584560
            g-h potential
              2
            2      3.9784420             -5.2343370
            2      4.0114910             -6.7381420
            -HG     0
            HG-ECP     5     60
            h potential
              1
            2      1.0000000              0.0000000
            s-h potential
              2
            2     12.4130710            275.7747970
            2      6.8979130             49.2678980
            p-h potential
              4
            2     11.3103200             80.5069840
            2     10.2107730            161.0348240
            2      5.9398040              9.0834160
            2      5.0197550             18.3677730
            d-h potential
              4
            2      8.4078950             51.1372560
            2      8.2140860             76.7074590
            2      4.0126120              6.5618210
            2      3.7953980              9.8180700
            f-h potential
              2
            2      3.2731060              9.4290010
            2      3.2083210             12.4948560
            g-h potential
              2
            2      4.4852960             -6.3384140
            2      4.5132000             -8.0998630
            -TL     0
            TL-ECP     5     60
            h potential
              1
            2      1.0000000              0.0000000
            s-h potential
              2
            2     12.1678050            281.2846630
            2      8.2949090             62.4342510
            p-h potential
              4
            2      7.1514920              4.6334080
            2      5.1728650              9.3417560
            2      9.8910720             72.2992530
            2      9.0033910            144.5580370
            d-h potential
              4
            2      7.1302180             35.9430390
            2      6.9269060             53.9095930
            2      5.4175700             10.3819390
            2      5.1386810             15.5838220
            f-h potential
              4
            2      5.6263990             15.8254880
            2      5.5489520             21.1040210
            2      2.8749460              2.9151270
            2      2.8214510              3.8969030
            g-h potential
              4
            2      6.6790570             -7.4945340
            2      6.7068350             -9.5405750
            2      7.2092840             -7.7979920
            2      7.0709640             -9.2595240
            -PB     0
            PB-ECP     5     60
            h potential
              1
            2      1.0000000              0.0000000
            s-h potential
              2
            2     12.2963030            281.2854990
            2      8.6326340             62.5202170
            p-h potential
              4
            2     10.2417900             72.2768970
            2      8.9241760            144.5910830
            2      6.5813420              4.7586930
            2      6.2554030              9.9406210
            d-h potential
              4
            2      7.7543360             35.8485070
            2      7.7202810             53.7243420
            2      4.9702640             10.1152560
            2      4.5637890             14.8337310
            f-h potential
              2
            2      3.8875120             12.2098920
            2      3.8119630             16.1902910
            g-h potential
              2
            2      5.6915770             -9.0966650
            2      5.7155670            -11.5319960
            -BI     0
            BI-ECP     5     60
            h potential
              1
            2      1.0000000              0.0000000
            s-h potential
              2
            2     13.0430900            283.2642270
            2      8.2216820             62.4719590
            p-h potential
              4
            2     10.4677770             72.0014990
            2      9.1189010            144.0022770
            2      6.7547910              5.0079450
            2      6.2525920              9.9915500
            d-h potential
              4
            2      8.0814740             36.3962590
            2      7.8905950             54.5976640
            2      4.9555560              9.9842940
            2      4.7045590             14.9814850
            f-h potential
              2
            2      4.2145460             13.7133830
            2      4.1334000             18.1943080
            g-h potential
              2
            2      6.2057090            -10.2474430
            2      6.2277820            -12.9557100
            -PO     0
            PO-ECP     5     60
            h potential
              1
            2      1.0000000              0.0000000
            s-h potential
              2
            2     13.2772270            283.2447060
            2      8.3995180             62.3964610
            p-h potential
              4
            2     10.6656820             71.9917160
            2      9.2837530            143.9718710
            2      6.8727490              4.9496150
            2      6.3261500              9.7404990
            d-h potential
              4
            2      8.2148660             36.3783830
            2      8.0086960             54.5627150
            2      5.0552270              9.8894990
            2      4.7825530             14.6938770
            f-h potential
              4
            2      5.0132700             17.4282950
            2      4.9846400             23.3803530
            2      1.3267600              0.1633920
            2      1.5287580              0.3245660
            g-h potential
              2
            2      6.7715260            -11.5632940
            2      6.7779250            -14.5097880
            -AT     0
            AT-ECP     5     60
            h potential
              1
            2      1.0000000              0.0000000
            s-h potential
              3
            2     30.2008320             49.9571580
            2     13.6123060            283.2103710
            2      8.5293400             62.2810520
            p-h potential
              4
            2     10.8540650             71.9823710
            2      9.4682290            143.9035320
            2      7.0311140              4.8717590
            2      6.1438580              8.9830590
            d-h potential
              4
            2      8.3135150             36.3632370
            2      7.9989650             54.5489700
            2      5.1799660              9.7762850
            2      4.9422260             14.2647550
            f-h potential
              4
            2      5.8121630             19.8701980
            2      5.7537150             26.4164520
            2      2.5134720              0.9949700
            2      2.5362610              1.4907010
            g-h potential
              4
            2      9.8957780            -22.2232030
            2      9.7373340            -26.7154760
            2      3.0133310             -0.3730440
            2      3.0977630             -0.4859460
            -RN     0
            RN-ECP     5     60
            h potential
              1
            2      1.0000000              0.0000000
            s-h potential
              3
            2     30.1512420             49.9655510
            2     14.5212410            283.0700000
            2      8.0520380             62.0028700
            p-h potential
              4
            2     11.0099420             71.9691190
            2      9.6176250            143.8605590
            2      7.3360080              4.7147610
            2      6.4062530              9.0130650
            d-h potential
              4
            2      8.3692200             36.3683650
            2      8.1169750             54.5517610
            2      5.3536560              9.6344870
            2      5.0972120             14.3879020
            f-h potential
              4
            2      6.3485710             21.7972900
            2      6.2959490             28.9468050
            2      2.8821180              1.4473650
            2      2.9080480              2.1779640
            g-h potential
              4
            2     11.0152050            -25.2280950
            2     10.9098530            -30.5661210
            2      3.4827610             -0.5748000
            2      3.6004180             -0.7795380
            
 Initial command:
 /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l1.exe "/projects/academic/jochena/pierpa/VROA36_Benchmark/VROA_532/Experimental_Lasers/New_Molecules/wB97XD_augccpVDZ/Gau-129527.inp" -scrdir="/projects/academic/jochena/pierpa/VROA36_Benchmark/VROA_532/Experimental_Lasers/New_Molecules/wB97XD_augccpVDZ/"
 Entering Link 1 = /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l1.exe PID=    129528.
  
 Copyright (c) 1988,1990,1992,1993,1995,1998,2003,2009,2016,
            Gaussian, Inc.  All Rights Reserved.
  
 This is part of the Gaussian(R) 16 program.  It is based on
 the Gaussian(R) 09 system (copyright 2009, Gaussian, Inc.),
 the Gaussian(R) 03 system (copyright 2003, Gaussian, Inc.),
 the Gaussian(R) 98 system (copyright 1998, Gaussian, Inc.),
 the Gaussian(R) 94 system (copyright 1995, Gaussian, Inc.),
 the Gaussian 92(TM) system (copyright 1992, Gaussian, Inc.),
 the Gaussian 90(TM) system (copyright 1990, Gaussian, Inc.),
 the Gaussian 88(TM) system (copyright 1988, Gaussian, Inc.),
 the Gaussian 86(TM) system (copyright 1986, Carnegie Mellon
 University), and the Gaussian 82(TM) system (copyright 1983,
 Carnegie Mellon University). Gaussian is a federally registered
 trademark of Gaussian, Inc.
  
 This software contains proprietary and confidential information,
 including trade secrets, belonging to Gaussian, Inc.
  
 This software is provided under written license and may be
 used, copied, transmitted, or stored only in accord with that
 written license.
  
 The following legend is applicable only to US Government
 contracts under FAR:
  
                    RESTRICTED RIGHTS LEGEND
  
 Use, reproduction and disclosure by the US Government is
 subject to restrictions as set forth in subparagraphs (a)
 and (c) of the Commercial Computer Software - Restricted
 Rights clause in FAR 52.227-19.
  
 Gaussian, Inc.
 340 Quinnipiac St., Bldg. 40, Wallingford CT 06492
  
  
 ---------------------------------------------------------------
 Warning -- This program may not be used in any manner that
 competes with the business of Gaussian, Inc. or will provide
 assistance to any competitor of Gaussian, Inc.  The licensee
 of this program is prohibited from giving any competitor of
 Gaussian, Inc. access to this program.  By using this program,
 the user acknowledges that Gaussian, Inc. is engaged in the
 business of creating and licensing software in the field of
 computational chemistry and represents and warrants to the
 licensee that it is not a competitor of Gaussian, Inc. and that
 it will not use this program in any manner prohibited above.
 ---------------------------------------------------------------
  

 Cite this work as:
 Gaussian 16, Revision A.03,
 M. J. Frisch, G. W. Trucks, H. B. Schlegel, G. E. Scuseria, 
 M. A. Robb, J. R. Cheeseman, G. Scalmani, V. Barone, 
 G. A. Petersson, H. Nakatsuji, X. Li, M. Caricato, A. V. Marenich, 
 J. Bloino, B. G. Janesko, R. Gomperts, B. Mennucci, H. P. Hratchian, 
 J. V. Ortiz, A. F. Izmaylov, J. L. Sonnenberg, D. Williams-Young, 
 F. Ding, F. Lipparini, F. Egidi, J. Goings, B. Peng, A. Petrone, 
 T. Henderson, D. Ranasinghe, V. G. Zakrzewski, J. Gao, N. Rega, 
 G. Zheng, W. Liang, M. Hada, M. Ehara, K. Toyota, R. Fukuda, 
 J. Hasegawa, M. Ishida, T. Nakajima, Y. Honda, O. Kitao, H. Nakai, 
 T. Vreven, K. Throssell, J. A. Montgomery, Jr., J. E. Peralta, 
 F. Ogliaro, M. J. Bearpark, J. J. Heyd, E. N. Brothers, K. N. Kudin, 
 V. N. Staroverov, T. A. Keith, R. Kobayashi, J. Normand, 
 K. Raghavachari, A. P. Rendell, J. C. Burant, S. S. Iyengar, 
 J. Tomasi, M. Cossi, J. M. Millam, M. Klene, C. Adamo, R. Cammi, 
 J. W. Ochterski, R. L. Martin, K. Morokuma, O. Farkas, 
 J. B. Foresman, and D. J. Fox, Gaussian, Inc., Wallingford CT, 2016.
 
 ******************************************
 Gaussian 16:  ES64L-G16RevA.03 25-Dec-2016
                12-Aug-2021 
 ******************************************
 %NoSave
 %nproc=8
 Will use up to    8 processors via shared memory.
 %mem=40GB
 %chk=22_phenylethanamine_conformer03_STD_wB97XD_augccpVDZ
 ----------------------------------------------------------------------
 #P wB97XD/Gen Integral=UltraFineGrid SCF=(NoSymm,MaxCyc=120) Polar=ROA
  Guess=Read Geom=Check CPHF=RdFreq
 ----------------------------------------------------------------------
 1/29=2,38=1,83=21,172=1/1;
 2/12=2,40=1/2;
 3/5=7,11=2,14=-4,25=1,30=1,36=2,74=-58,75=-5,116=-2/1,2,3;
 4/5=1,9=2/1;
 5/5=2,7=120,38=6,98=1/2;
 8/6=4,10=90,11=11/1;
 10/13=10,49=112,72=3/2;
 6/7=2,8=2,9=2,10=2,28=1/1;
 7/8=1,25=21/16;
 99/5=1/99;
 Leave Link    1 at Thu Aug 12 22:10:06 2021, MaxMem=  5368709120 cpu:               0.8 elap:               0.1
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l101.exe)
 -----------------
 ROA calculations.
 -----------------
 Structure from the checkpoint file:  "22_phenylethanamine_conformer03_STD_wB97XD_augccpVDZ.chk"
 Charge =  0 Multiplicity = 1
 No Z-Matrix found in chk file; cartesian coordinates used.
  C                                                -1.759102000000      1.294865000000      0.124219000000
  C                                                -0.385999000000      1.089252000000      0.091522000000
  C                                                 0.143220000000     -0.195011000000     -0.038794000000
  C                                                -0.738993000000     -1.267271000000     -0.139586000000
  C                                                -2.114323000000     -1.067587000000     -0.113927000000
  C                                                -2.629131000000      0.215606000000      0.019441000000
  C                                                 1.640191000000     -0.425479000000     -0.053017000000
  N                                                 2.173891000000     -0.208169000000      1.300507000000
  C                                                 2.343118000000      0.395962000000     -1.141195000000
  H                                                 1.921765000000      0.715604000000      1.634380000000
  H                                                 1.800966000000     -1.482881000000     -0.280603000000
  H                                                 2.234739000000      1.467081000000     -0.959830000000
  H                                                 1.932322000000      0.176383000000     -2.128993000000
  H                                                 3.410705000000      0.164795000000     -1.156871000000
  H                                                -0.342500000000     -2.270931000000     -0.234294000000
  H                                                -2.783048000000     -1.915102000000     -0.194949000000
  H                                                -3.699496000000      0.374691000000      0.041084000000
  H                                                -2.150672000000      2.298939000000      0.227511000000
  H                                                 0.276829000000      1.942910000000      0.165669000000
  H                                                 3.187261000000     -0.256330000000      1.291368000000
 Recover connectivity data from disk.
 ITRead=  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0
 MicOpt= -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1
 NAtoms=     20 NQM=       20 NQMF=       0 NMMI=      0 NMMIF=      0
                NMic=       0 NMicF=      0.
                    Isotopes and Nuclear Properties:
 (Nuclear quadrupole moments (NQMom) in fm**2, nuclear magnetic moments (NMagM)
  in nuclear magnetons)

  Atom         1           2           3           4           5           6           7           8           9          10
 IAtWgt=          12          12          12          12          12          12          12          14          12           1
 AtmWgt=  12.0000000  12.0000000  12.0000000  12.0000000  12.0000000  12.0000000  12.0000000  14.0030740  12.0000000   1.0078250
 NucSpn=           0           0           0           0           0           0           0           2           0           1
 AtZEff=   3.6000000   3.6000000   3.6000000   3.6000000   3.6000000   3.6000000   3.6000000   4.5500000   3.6000000   1.0000000
 NQMom=    0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   2.0440000   0.0000000   0.0000000
 NMagM=    0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.4037610   0.0000000   2.7928460
 AtZNuc=   6.0000000   6.0000000   6.0000000   6.0000000   6.0000000   6.0000000   6.0000000   7.0000000   6.0000000   1.0000000

  Atom        11          12          13          14          15          16          17          18          19          20
 IAtWgt=           1           1           1           1           1           1           1           1           1           1
 AtmWgt=   1.0078250   1.0078250   1.0078250   1.0078250   1.0078250   1.0078250   1.0078250   1.0078250   1.0078250   1.0078250
 NucSpn=           1           1           1           1           1           1           1           1           1           1
 AtZEff=   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000
 NQMom=    0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000
 NMagM=    2.7928460   2.7928460   2.7928460   2.7928460   2.7928460   2.7928460   2.7928460   2.7928460   2.7928460   2.7928460
 AtZNuc=   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000
 Using perturbation frequencies:    0.085645
 Leave Link  101 at Thu Aug 12 22:10:07 2021, MaxMem=  5368709120 cpu:               0.9 elap:               0.2
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l202.exe)
                          Input orientation:                          
 ---------------------------------------------------------------------
 Center     Atomic      Atomic             Coordinates (Angstroms)
 Number     Number       Type             X           Y           Z
 ---------------------------------------------------------------------
      1          6           0       -1.759102    1.294865    0.124219
      2          6           0       -0.385999    1.089252    0.091522
      3          6           0        0.143220   -0.195011   -0.038794
      4          6           0       -0.738993   -1.267271   -0.139586
      5          6           0       -2.114323   -1.067587   -0.113927
      6          6           0       -2.629131    0.215606    0.019441
      7          6           0        1.640191   -0.425479   -0.053017
      8          7           0        2.173891   -0.208169    1.300507
      9          6           0        2.343118    0.395962   -1.141195
     10          1           0        1.921765    0.715604    1.634380
     11          1           0        1.800966   -1.482881   -0.280603
     12          1           0        2.234739    1.467081   -0.959830
     13          1           0        1.932322    0.176383   -2.128993
     14          1           0        3.410705    0.164795   -1.156871
     15          1           0       -0.342500   -2.270931   -0.234294
     16          1           0       -2.783048   -1.915102   -0.194949
     17          1           0       -3.699496    0.374691    0.041084
     18          1           0       -2.150672    2.298939    0.227511
     19          1           0        0.276829    1.942910    0.165669
     20          1           0        3.187261   -0.256330    1.291368
 ---------------------------------------------------------------------
                    Distance matrix (angstroms):
                    1          2          3          4          5
     1  C    0.000000
     2  C    1.388797   0.000000
     3  C    2.421804   1.395130   0.000000
     4  C    2.770335   2.393996   1.392193   0.000000
     5  C    2.400849   2.771510   2.421474   1.389987   0.000000
     6  C    1.390226   2.408338   2.803200   2.407662   1.389028
     7  C    3.813947   2.533919   1.514675   2.525198   3.809513
     8  N    4.371636   3.114158   2.432596   3.417669   4.596521
     9  C    4.386058   3.073812   2.530630   3.642660   4.802711
    10  H    4.020561   2.801035   2.606138   3.762763   4.746194
    11  H    4.533634   3.396640   2.113103   2.552991   3.940779
    12  H    4.141930   2.848923   2.825829   4.122204   5.104354
    13  H    4.467055   3.337458   2.776284   3.630124   4.688634
    14  H    5.444736   4.102203   3.472177   4.506182   5.756078
    15  H    3.853595   3.376222   2.140932   1.083287   2.145200
    16  H    3.384409   3.854096   3.397961   2.144973   1.082608
    17  H    2.149130   3.390045   3.885538   3.390171   2.148713
    18  H    1.082664   2.143807   3.398918   3.852980   3.383991
    19  H    2.136983   1.083315   2.151828   3.380878   3.854721
    20  H    5.313657   4.002300   3.322541   4.299430   5.544347
                    6          7          8          9         10
     6  C    0.000000
     7  C    4.317795   0.000000
     8  N    4.988961   1.471083   0.000000
     9  C    5.109096   1.533950   2.521016   0.000000
    10  H    4.854759   2.056371   1.014098   2.825513   0.000000
    11  H    4.754013   1.093500   2.064915   2.136492   2.918062
    12  H    5.116873   2.181188   2.814123   1.091758   2.718933
    13  H    5.042238   2.181113   3.459437   1.092114   3.801822
    14  H    6.153528   2.168326   2.776242   1.092440   3.211139
    15  H    3.387614   2.714704   3.597614   3.891957   4.187867
    16  H    2.146991   4.669493   5.451720   5.702103   5.692304
    17  H    1.082339   5.400128   6.035110   6.157225   5.852639
    18  H    2.147671   4.676729   5.112608   5.068415   4.590313
    19  H    3.383721   2.741504   3.084452   2.893180   2.523729
    20  H    5.972515   2.056552   1.014555   2.656205   1.632113
                   11         12         13         14         15
    11  H    0.000000
    12  H    3.058069   0.000000
    13  H    2.487359   1.767569   0.000000
    14  H    2.464537   1.765693   1.769399   0.000000
    15  H    2.284210   4.597967   3.841099   4.568420   0.000000
    16  H    4.605142   6.099376   5.509043   6.604078   2.466665
    17  H    5.814563   6.116395   6.038703   7.213467   4.283056
    18  H    5.493249   4.618831   5.170029   6.115554   4.936240
    19  H    3.776003   2.307937   3.335678   3.838227   4.277849
    20  H    2.428443   2.990875   3.668921   2.494223   4.341137
                   16         17         18         19         20
    16  H    0.000000
    17  H    2.477648   0.000000
    18  H    4.282116   2.477164   0.000000
    19  H    4.937322   4.276212   2.454250   0.000000
    20  H    6.372225   7.027718   6.012880   3.817652   0.000000
 Stoichiometry    C8H11N
 Framework group  C1[X(C8H11N)]
 Deg. of freedom    54
 Full point group                 C1      NOp   1
 RotChk:  IX=0 Diff= 8.15D-16
 Largest Abelian subgroup         C1      NOp   1
 Largest concise Abelian subgroup C1      NOp   1
                         Standard orientation:                         
 ---------------------------------------------------------------------
 Center     Atomic      Atomic             Coordinates (Angstroms)
 Number     Number       Type             X           Y           Z
 ---------------------------------------------------------------------
      1          6           0       -1.759102    1.294865    0.124219
      2          6           0       -0.385999    1.089252    0.091522
      3          6           0        0.143220   -0.195011   -0.038794
      4          6           0       -0.738993   -1.267271   -0.139586
      5          6           0       -2.114323   -1.067587   -0.113927
      6          6           0       -2.629131    0.215606    0.019441
      7          6           0        1.640191   -0.425479   -0.053017
      8          7           0        2.173891   -0.208169    1.300507
      9          6           0        2.343118    0.395962   -1.141195
     10          1           0        1.921765    0.715604    1.634380
     11          1           0        1.800966   -1.482881   -0.280603
     12          1           0        2.234739    1.467081   -0.959830
     13          1           0        1.932322    0.176383   -2.128993
     14          1           0        3.410705    0.164795   -1.156871
     15          1           0       -0.342500   -2.270931   -0.234294
     16          1           0       -2.783048   -1.915102   -0.194949
     17          1           0       -3.699496    0.374691    0.041084
     18          1           0       -2.150672    2.298939    0.227511
     19          1           0        0.276829    1.942910    0.165669
     20          1           0        3.187261   -0.256330    1.291368
 ---------------------------------------------------------------------
 Rotational constants (GHZ):           3.4238817           1.0937065           0.9971853
 Leave Link  202 at Thu Aug 12 22:10:07 2021, MaxMem=  5368709120 cpu:               0.1 elap:               0.1
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l301.exe)
 General basis read from cards:  (5D, 7F)
 Centers:      10     11     12     13     14     15     16     17     18     19
 Centers:      20
 S 4 1.00
     Exponent=  1.3010000000D+01 Coefficients=  1.9685000000D-02
     Exponent=  1.9620000000D+00 Coefficients=  1.3797700000D-01
     Exponent=  4.4460000000D-01 Coefficients=  4.7814800000D-01
     Exponent=  1.2200000000D-01 Coefficients=  5.0124000000D-01
 S 1 1.00
     Exponent=  1.2200000000D-01 Coefficients=  1.0000000000D+00
 S 1 1.00
     Exponent=  2.9740000000D-02 Coefficients=  1.0000000000D+00
 P 1 1.00
     Exponent=  7.2700000000D-01 Coefficients=  1.0000000000D+00
 P 1 1.00
     Exponent=  1.4100000000D-01 Coefficients=  1.0000000000D+00
 ****
 Centers:       1      2      3      4      5      6      7      9
 S 9 1.00
     Exponent=  6.6650000000D+03 Coefficients=  6.9200000000D-04
     Exponent=  1.0000000000D+03 Coefficients=  5.3290000000D-03
     Exponent=  2.2800000000D+02 Coefficients=  2.7077000000D-02
     Exponent=  6.4710000000D+01 Coefficients=  1.0171800000D-01
     Exponent=  2.1060000000D+01 Coefficients=  2.7474000000D-01
     Exponent=  7.4950000000D+00 Coefficients=  4.4856400000D-01
     Exponent=  2.7970000000D+00 Coefficients=  2.8507400000D-01
     Exponent=  5.2150000000D-01 Coefficients=  1.5204000000D-02
     Exponent=  1.5960000000D-01 Coefficients= -3.1910000000D-03
 S 9 1.00
     Exponent=  6.6650000000D+03 Coefficients= -1.4600000000D-04
     Exponent=  1.0000000000D+03 Coefficients= -1.1540000000D-03
     Exponent=  2.2800000000D+02 Coefficients= -5.7250000000D-03
     Exponent=  6.4710000000D+01 Coefficients= -2.3312000000D-02
     Exponent=  2.1060000000D+01 Coefficients= -6.3955000000D-02
     Exponent=  7.4950000000D+00 Coefficients= -1.4998100000D-01
     Exponent=  2.7970000000D+00 Coefficients= -1.2726200000D-01
     Exponent=  5.2150000000D-01 Coefficients=  5.4452900000D-01
     Exponent=  1.5960000000D-01 Coefficients=  5.8049600000D-01
 S 1 1.00
     Exponent=  1.5960000000D-01 Coefficients=  1.0000000000D+00
 S 1 1.00
     Exponent=  4.6900000000D-02 Coefficients=  1.0000000000D+00
 P 4 1.00
     Exponent=  9.4390000000D+00 Coefficients=  3.8109000000D-02
     Exponent=  2.0020000000D+00 Coefficients=  2.0948000000D-01
     Exponent=  5.4560000000D-01 Coefficients=  5.0855700000D-01
     Exponent=  1.5170000000D-01 Coefficients=  4.6884200000D-01
 P 1 1.00
     Exponent=  1.5170000000D-01 Coefficients=  1.0000000000D+00
 P 1 1.00
     Exponent=  4.0410000000D-02 Coefficients=  1.0000000000D+00
 D 1 1.00
     Exponent=  5.5000000000D-01 Coefficients=  1.0000000000D+00
 D 1 1.00
     Exponent=  1.5100000000D-01 Coefficients=  1.0000000000D+00
 ****
 Centers:       8
 S 9 1.00
     Exponent=  9.0460000000D+03 Coefficients=  7.0000000000D-04
     Exponent=  1.3570000000D+03 Coefficients=  5.3890000000D-03
     Exponent=  3.0930000000D+02 Coefficients=  2.7406000000D-02
     Exponent=  8.7730000000D+01 Coefficients=  1.0320700000D-01
     Exponent=  2.8560000000D+01 Coefficients=  2.7872300000D-01
     Exponent=  1.0210000000D+01 Coefficients=  4.4854000000D-01
     Exponent=  3.8380000000D+00 Coefficients=  2.7823800000D-01
     Exponent=  7.4660000000D-01 Coefficients=  1.5440000000D-02
     Exponent=  2.2480000000D-01 Coefficients= -2.8640000000D-03
 S 9 1.00
     Exponent=  9.0460000000D+03 Coefficients= -1.5300000000D-04
     Exponent=  1.3570000000D+03 Coefficients= -1.2080000000D-03
     Exponent=  3.0930000000D+02 Coefficients= -5.9920000000D-03
     Exponent=  8.7730000000D+01 Coefficients= -2.4544000000D-02
     Exponent=  2.8560000000D+01 Coefficients= -6.7459000000D-02
     Exponent=  1.0210000000D+01 Coefficients= -1.5807800000D-01
     Exponent=  3.8380000000D+00 Coefficients= -1.2183100000D-01
     Exponent=  7.4660000000D-01 Coefficients=  5.4900300000D-01
     Exponent=  2.2480000000D-01 Coefficients=  5.7881500000D-01
 S 1 1.00
     Exponent=  2.2480000000D-01 Coefficients=  1.0000000000D+00
 S 1 1.00
     Exponent=  6.1240000000D-02 Coefficients=  1.0000000000D+00
 P 4 1.00
     Exponent=  1.3550000000D+01 Coefficients=  3.9919000000D-02
     Exponent=  2.9170000000D+00 Coefficients=  2.1716900000D-01
     Exponent=  7.9730000000D-01 Coefficients=  5.1031900000D-01
     Exponent=  2.1850000000D-01 Coefficients=  4.6221400000D-01
 P 1 1.00
     Exponent=  2.1850000000D-01 Coefficients=  1.0000000000D+00
 P 1 1.00
     Exponent=  5.6110000000D-02 Coefficients=  1.0000000000D+00
 D 1 1.00
     Exponent=  8.1700000000D-01 Coefficients=  1.0000000000D+00
 D 1 1.00
     Exponent=  2.3000000000D-01 Coefficients=  1.0000000000D+00
 ****
 Ernie: Thresh=  0.10000D-02 Tol=  0.10000D-05 Strict=F.
 Ernie:  27 primitive shells out of 340 were deleted.
 There are   324 symmetry adapted cartesian basis functions of A   symmetry.
 There are   306 symmetry adapted basis functions of A   symmetry.
   306 basis functions,   555 primitive gaussians,   324 cartesian basis functions
    33 alpha electrons       33 beta electrons
       nuclear repulsion energy       425.2473536436 Hartrees.
 IExCor= 4639 DFT=T Ex+Corr=wB97XD ExCW=0 ScaHFX=  1.000000
 ScaDFX=  1.000000  1.000000  1.000000  1.000000 ScalE2=  1.000000  1.000000
 IRadAn=      5 IRanWt=     -1 IRanGd=            0 ICorTp=0 IEmpDi=121
 HFx  wShort=  0.000000 wLong=  0.200000 cFull=  0.222036 cShort=  0.000000 cLong=  0.777964
 DFx  wShort=  0.000000 wLong=  0.200000 cFull=  0.000000 cShort=  0.000000 cLong=  1.000000
 NAtoms=   20 NActive=   20 NUniq=   20 SFac= 1.00D+00 NAtFMM=   60 NAOKFM=F Big=F
 Integral buffers will be    131072 words long.
 Raffenetti 2 integral format.
 Two-electron integral symmetry is turned on.
 R6Disp:  Grimme-D2 Dispersion energy=       -0.0115800045 Hartrees.
 Nuclear repulsion after empirical dispersion term =      425.2357736391 Hartrees.
 Leave Link  301 at Thu Aug 12 22:10:08 2021, MaxMem=  5368709120 cpu:              10.1 elap:               1.3
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l302.exe)
 NPDir=0 NMtPBC=     1 NCelOv=     1 NCel=       1 NClECP=     1 NCelD=      1
         NCelK=      1 NCelE2=     1 NClLst=     1 CellRange=     0.0.
 One-electron integrals computed using PRISM.
 One-electron integral symmetry used in STVInt
 NBasis=   306 RedAO= T EigKep=  1.75D-06  NBF=   306
 NBsUse=   306 1.00D-06 EigRej= -1.00D+00 NBFU=   306
 Precomputing XC quadrature grid using
 IXCGrd= 4 IRadAn=           5 IRanWt=          -1 IRanGd=           0 AccXCQ= 0.00D+00.
 Generated NRdTot=       0 NPtTot=           0 NUsed=           0 NTot=          32
 NSgBfM=   324   324   324   324   324 MxSgAt=    20 MxSgA2=    20.
 Leave Link  302 at Thu Aug 12 22:10:09 2021, MaxMem=  5368709120 cpu:               2.5 elap:               0.4
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l303.exe)
 DipDrv:  MaxL=2.
 Leave Link  303 at Thu Aug 12 22:10:09 2021, MaxMem=  5368709120 cpu:               0.6 elap:               0.1
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l401.exe)
 Initial guess from the checkpoint file:  "22_phenylethanamine_conformer03_STD_wB97XD_augccpVDZ.chk"
 SCF N**3 symmetry information disabled.
 B after Tr=     0.000000    0.000000   -0.000000
         Rot=    1.000000    0.000000   -0.000000   -0.000000 Ang=   0.00 deg.
 Guess basis will be translated and rotated to current coordinates.
 JPrj=2 DoOrth=T DoCkMO=T.
 Leave Link  401 at Thu Aug 12 22:10:09 2021, MaxMem=  5368709120 cpu:               2.4 elap:               0.4
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l502.exe)
 Integral symmetry usage will be decided dynamically.
 Closed shell SCF:
 Using DIIS extrapolation, IDIIS=  1040.
 NGot=  5368709120 LenX=  5368493398 LenY=  5368387981
 Requested convergence on RMS density matrix=1.00D-08 within 120 cycles.
 Requested convergence on MAX density matrix=1.00D-06.
 Requested convergence on             energy=1.00D-06.
 No special actions if energy rises.
 Fock matrices will be formed incrementally for  20 cycles.

 Cycle   1  Pass 1  IDiag  1:
 FoFJK:  IHMeth= 1 ICntrl=       0 DoSepK=T KAlg= 0 I1Cent=           0 FoldK=F
 IRaf=         1 NMat=       1 IRICut=       1 DoRegI=T DoRafI=F ISym2E= 0 IDoP0=0 IntGTp=1.
 FoFCou: FMM=F IPFlag=           0 FMFlag=      100000 FMFlg1=           0
         NFxFlg=           0 DoJE=T BraDBF=F KetDBF=F FulRan=T
         wScrn=  0.000000 ICntrl=       500 IOpCl=  0 I1Cent=           0 NGrid=           0
         NMat0=    1 NMatS0=      1 NMatT0=    0 NMatD0=    1 NMtDS0=    0 NMtDT0=    0
 Symmetry not used in FoFCou.
 E= -366.142774173107    
 DIIS: error= 2.32D-03 at cycle   1 NSaved=   1.
 NSaved= 1 IEnMin= 1 EnMin= -366.142774173107     IErMin= 1 ErrMin= 2.32D-03
 ErrMax= 2.32D-03  0.00D+00 EMaxC= 1.00D-01 BMatC= 4.65D-03 BMatP= 4.65D-03
 IDIUse=3 WtCom= 9.77D-01 WtEn= 2.32D-02
 Coeff-Com:  0.100D+01
 Coeff-En:   0.100D+01
 Coeff:      0.100D+01
 Gap=     0.379 Goal=   None    Shift=    0.000
 GapD=    0.379 DampG=1.000 DampE=1.000 DampFc=1.0000 IDamp=-1.
 RMSDP=4.80D-02 MaxDP=2.86D+00              OVMax= 1.74D-02

 Cycle   2  Pass 1  IDiag  1:
 RMSU=  3.92D-02    CP:  1.55D+00
 E= -366.146785667503     Delta-E=       -0.004011494396 Rises=F Damp=F
 DIIS: error= 2.56D-04 at cycle   2 NSaved=   2.
 NSaved= 2 IEnMin= 2 EnMin= -366.146785667503     IErMin= 2 ErrMin= 2.56D-04
 ErrMax= 2.56D-04  0.00D+00 EMaxC= 1.00D-01 BMatC= 5.97D-05 BMatP= 4.65D-03
 IDIUse=3 WtCom= 9.97D-01 WtEn= 2.56D-03
 Coeff-Com: -0.656D-01 0.107D+01
 Coeff-En:   0.000D+00 0.100D+01
 Coeff:     -0.655D-01 0.107D+01
 Gap=     0.359 Goal=   None    Shift=    0.000
 RMSDP=7.85D-03 MaxDP=4.71D-01 DE=-4.01D-03 OVMax= 5.37D-03

 Cycle   3  Pass 1  IDiag  1:
 RMSU=  1.25D-03    CP:  1.64D+00  1.16D+00
 E= -366.146923870208     Delta-E=       -0.000138202706 Rises=F Damp=F
 DIIS: error= 1.24D-04 at cycle   3 NSaved=   3.
 NSaved= 3 IEnMin= 3 EnMin= -366.146923870208     IErMin= 3 ErrMin= 1.24D-04
 ErrMax= 1.24D-04  0.00D+00 EMaxC= 1.00D-01 BMatC= 7.50D-06 BMatP= 5.97D-05
 IDIUse=3 WtCom= 9.99D-01 WtEn= 1.24D-03
 Coeff-Com: -0.197D-01 0.188D+00 0.832D+00
 Coeff-En:   0.000D+00 0.000D+00 0.100D+01
 Coeff:     -0.197D-01 0.188D+00 0.832D+00
 Gap=     0.359 Goal=   None    Shift=    0.000
 RMSDP=5.28D-04 MaxDP=2.92D-02 DE=-1.38D-04 OVMax= 1.65D-03

 Cycle   4  Pass 1  IDiag  1:
 RMSU=  1.49D-04    CP:  1.64D+00  1.17D+00  1.12D+00
 E= -366.146934593584     Delta-E=       -0.000010723376 Rises=F Damp=F
 DIIS: error= 5.87D-05 at cycle   4 NSaved=   4.
 NSaved= 4 IEnMin= 4 EnMin= -366.146934593584     IErMin= 4 ErrMin= 5.87D-05
 ErrMax= 5.87D-05  0.00D+00 EMaxC= 1.00D-01 BMatC= 2.20D-06 BMatP= 7.50D-06
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com:  0.249D-02-0.884D-01 0.300D+00 0.786D+00
 Coeff:      0.249D-02-0.884D-01 0.300D+00 0.786D+00
 Gap=     0.359 Goal=   None    Shift=    0.000
 RMSDP=1.48D-04 MaxDP=6.43D-03 DE=-1.07D-05 OVMax= 7.46D-04

 Cycle   5  Pass 1  IDiag  1:
 RMSU=  5.53D-05    CP:  1.64D+00  1.17D+00  1.17D+00  1.31D+00
 E= -366.146937674881     Delta-E=       -0.000003081298 Rises=F Damp=F
 DIIS: error= 1.41D-05 at cycle   5 NSaved=   5.
 NSaved= 5 IEnMin= 5 EnMin= -366.146937674881     IErMin= 5 ErrMin= 1.41D-05
 ErrMax= 1.41D-05  0.00D+00 EMaxC= 1.00D-01 BMatC= 1.82D-07 BMatP= 2.20D-06
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com:  0.246D-02-0.447D-01 0.264D-01 0.263D+00 0.753D+00
 Coeff:      0.246D-02-0.447D-01 0.264D-01 0.263D+00 0.753D+00
 Gap=     0.359 Goal=   None    Shift=    0.000
 RMSDP=3.37D-05 MaxDP=1.50D-03 DE=-3.08D-06 OVMax= 2.89D-04

 Cycle   6  Pass 1  IDiag  1:
 RMSU=  1.21D-05    CP:  1.64D+00  1.17D+00  1.18D+00  1.44D+00  1.18D+00
 E= -366.146937955877     Delta-E=       -0.000000280996 Rises=F Damp=F
 DIIS: error= 6.80D-06 at cycle   6 NSaved=   6.
 NSaved= 6 IEnMin= 6 EnMin= -366.146937955877     IErMin= 6 ErrMin= 6.80D-06
 ErrMax= 6.80D-06  0.00D+00 EMaxC= 1.00D-01 BMatC= 2.57D-08 BMatP= 1.82D-07
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com:  0.548D-03-0.449D-02-0.251D-01-0.416D-02 0.268D+00 0.766D+00
 Coeff:      0.548D-03-0.449D-02-0.251D-01-0.416D-02 0.268D+00 0.766D+00
 Gap=     0.359 Goal=   None    Shift=    0.000
 RMSDP=2.19D-05 MaxDP=1.40D-03 DE=-2.81D-07 OVMax= 9.18D-05

 Cycle   7  Pass 1  IDiag  1:
 RMSU=  5.09D-06    CP:  1.64D+00  1.17D+00  1.18D+00  1.48D+00  1.24D+00
                    CP:  1.06D+00
 E= -366.146937996271     Delta-E=       -0.000000040394 Rises=F Damp=F
 DIIS: error= 1.27D-06 at cycle   7 NSaved=   7.
 NSaved= 7 IEnMin= 7 EnMin= -366.146937996271     IErMin= 7 ErrMin= 1.27D-06
 ErrMax= 1.27D-06  0.00D+00 EMaxC= 1.00D-01 BMatC= 2.15D-09 BMatP= 2.57D-08
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com: -0.174D-03 0.468D-02-0.104D-01-0.396D-01-0.278D-01 0.200D+00
 Coeff-Com:  0.873D+00
 Coeff:     -0.174D-03 0.468D-02-0.104D-01-0.396D-01-0.278D-01 0.200D+00
 Coeff:      0.873D+00
 Gap=     0.359 Goal=   None    Shift=    0.000
 RMSDP=8.92D-06 MaxDP=5.10D-04 DE=-4.04D-08 OVMax= 4.35D-05

 Cycle   8  Pass 1  IDiag  1:
 RMSU=  1.73D-06    CP:  1.64D+00  1.17D+00  1.18D+00  1.50D+00  1.26D+00
                    CP:  1.15D+00  1.04D+00
 E= -366.146938000454     Delta-E=       -0.000000004183 Rises=F Damp=F
 DIIS: error= 5.07D-07 at cycle   8 NSaved=   8.
 NSaved= 8 IEnMin= 8 EnMin= -366.146938000454     IErMin= 8 ErrMin= 5.07D-07
 ErrMax= 5.07D-07  0.00D+00 EMaxC= 1.00D-01 BMatC= 3.46D-10 BMatP= 2.15D-09
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com: -0.930D-04 0.196D-02-0.222D-02-0.150D-01-0.275D-01 0.280D-01
 Coeff-Com:  0.364D+00 0.651D+00
 Coeff:     -0.930D-04 0.196D-02-0.222D-02-0.150D-01-0.275D-01 0.280D-01
 Coeff:      0.364D+00 0.651D+00
 Gap=     0.359 Goal=   None    Shift=    0.000
 RMSDP=4.93D-07 MaxDP=2.15D-05 DE=-4.18D-09 OVMax= 8.96D-06

 Cycle   9  Pass 1  IDiag  1:
 RMSU=  3.60D-07    CP:  1.64D+00  1.17D+00  1.18D+00  1.49D+00  1.26D+00
                    CP:  1.15D+00  1.07D+00  1.06D+00
 E= -366.146938000924     Delta-E=       -0.000000000470 Rises=F Damp=F
 DIIS: error= 1.35D-07 at cycle   9 NSaved=   9.
 NSaved= 9 IEnMin= 9 EnMin= -366.146938000924     IErMin= 9 ErrMin= 1.35D-07
 ErrMax= 1.35D-07  0.00D+00 EMaxC= 1.00D-01 BMatC= 2.24D-11 BMatP= 3.46D-10
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com:  0.313D-05-0.246D-03 0.114D-02 0.278D-02-0.220D-02-0.269D-01
 Coeff-Com: -0.593D-01 0.123D+00 0.962D+00
 Coeff:      0.313D-05-0.246D-03 0.114D-02 0.278D-02-0.220D-02-0.269D-01
 Coeff:     -0.593D-01 0.123D+00 0.962D+00
 Gap=     0.359 Goal=   None    Shift=    0.000
 RMSDP=7.21D-07 MaxDP=3.73D-05 DE=-4.70D-10 OVMax= 5.39D-06

 Cycle  10  Pass 1  IDiag  1:
 RMSU=  1.55D-07    CP:  1.64D+00  1.17D+00  1.18D+00  1.49D+00  1.26D+00
                    CP:  1.16D+00  1.08D+00  1.11D+00  1.15D+00
 E= -366.146938000915     Delta-E=        0.000000000009 Rises=F Damp=F
 DIIS: error= 5.76D-08 at cycle  10 NSaved=  10.
 NSaved=10 IEnMin= 9 EnMin= -366.146938000924     IErMin=10 ErrMin= 5.76D-08
 ErrMax= 5.76D-08  0.00D+00 EMaxC= 1.00D-01 BMatC= 2.52D-12 BMatP= 2.24D-11
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com:  0.923D-05-0.244D-03 0.552D-03 0.219D-02 0.162D-02-0.101D-01
 Coeff-Com: -0.481D-01-0.175D-01 0.297D+00 0.775D+00
 Coeff:      0.923D-05-0.244D-03 0.552D-03 0.219D-02 0.162D-02-0.101D-01
 Coeff:     -0.481D-01-0.175D-01 0.297D+00 0.775D+00
 Gap=     0.359 Goal=   None    Shift=    0.000
 RMSDP=1.72D-07 MaxDP=1.07D-05 DE= 9.21D-12 OVMax= 1.31D-06

 Cycle  11  Pass 1  IDiag  1:
 RMSU=  3.94D-08    CP:  1.64D+00  1.17D+00  1.18D+00  1.49D+00  1.26D+00
                    CP:  1.15D+00  1.07D+00  1.11D+00  1.18D+00  1.05D+00
 E= -366.146938000979     Delta-E=       -0.000000000064 Rises=F Damp=F
 DIIS: error= 2.42D-08 at cycle  11 NSaved=  11.
 NSaved=11 IEnMin=11 EnMin= -366.146938000979     IErMin=11 ErrMin= 2.42D-08
 ErrMax= 2.42D-08  0.00D+00 EMaxC= 1.00D-01 BMatC= 3.29D-13 BMatP= 2.52D-12
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com:  0.210D-05-0.347D-04-0.969D-05 0.225D-03 0.663D-03 0.113D-02
 Coeff-Com: -0.516D-02-0.235D-01-0.444D-01 0.194D+00 0.877D+00
 Coeff:      0.210D-05-0.347D-04-0.969D-05 0.225D-03 0.663D-03 0.113D-02
 Coeff:     -0.516D-02-0.235D-01-0.444D-01 0.194D+00 0.877D+00
 Gap=     0.359 Goal=   None    Shift=    0.000
 RMSDP=3.13D-08 MaxDP=1.71D-06 DE=-6.38D-11 OVMax= 6.14D-07

 Cycle  12  Pass 1  IDiag  1:
 RMSU=  1.51D-08    CP:  1.64D+00  1.17D+00  1.18D+00  1.49D+00  1.26D+00
                    CP:  1.15D+00  1.07D+00  1.11D+00  1.18D+00  1.10D+00
                    CP:  1.17D+00
 E= -366.146938000924     Delta-E=        0.000000000055 Rises=F Damp=F
 DIIS: error= 1.08D-08 at cycle  12 NSaved=  12.
 NSaved=12 IEnMin=11 EnMin= -366.146938000979     IErMin=12 ErrMin= 1.08D-08
 ErrMax= 1.08D-08  0.00D+00 EMaxC= 1.00D-01 BMatC= 5.12D-14 BMatP= 3.29D-13
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com: -0.795D-06 0.271D-04-0.881D-04-0.267D-03-0.855D-04 0.192D-02
 Coeff-Com:  0.577D-02-0.539D-02-0.567D-01-0.659D-01 0.264D+00 0.857D+00
 Coeff:     -0.795D-06 0.271D-04-0.881D-04-0.267D-03-0.855D-04 0.192D-02
 Coeff:      0.577D-02-0.539D-02-0.567D-01-0.659D-01 0.264D+00 0.857D+00
 Gap=     0.359 Goal=   None    Shift=    0.000
 RMSDP=1.77D-08 MaxDP=8.42D-07 DE= 5.49D-11 OVMax= 2.51D-07

 Cycle  13  Pass 1  IDiag  1:
 RMSU=  6.08D-09    CP:  1.64D+00  1.17D+00  1.18D+00  1.49D+00  1.26D+00
                    CP:  1.15D+00  1.07D+00  1.11D+00  1.18D+00  1.10D+00
                    CP:  1.28D+00  1.10D+00
 E= -366.146938000966     Delta-E=       -0.000000000042 Rises=F Damp=F
 DIIS: error= 3.30D-09 at cycle  13 NSaved=  13.
 NSaved=13 IEnMin=11 EnMin= -366.146938000979     IErMin=13 ErrMin= 3.30D-09
 ErrMax= 3.30D-09  0.00D+00 EMaxC= 1.00D-01 BMatC= 7.28D-15 BMatP= 5.12D-14
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com: -0.475D-06 0.128D-04-0.294D-04-0.113D-03-0.946D-04 0.567D-03
 Coeff-Com:  0.254D-02 0.354D-03-0.147D-01-0.435D-01 0.479D-02 0.306D+00
 Coeff-Com:  0.744D+00
 Coeff:     -0.475D-06 0.128D-04-0.294D-04-0.113D-03-0.946D-04 0.567D-03
 Coeff:      0.254D-02 0.354D-03-0.147D-01-0.435D-01 0.479D-02 0.306D+00
 Coeff:      0.744D+00
 Gap=     0.359 Goal=   None    Shift=    0.000
 RMSDP=6.82D-09 MaxDP=3.69D-07 DE=-4.22D-11 OVMax= 7.67D-08

 SCF Done:  E(RwB97XD) =  -366.146938001     A.U. after   13 cycles
            NFock= 13  Conv=0.68D-08     -V/T= 2.0062
 KE= 3.638961945062D+02 PE=-1.699572484875D+03 EE= 5.442935787291D+02
 Leave Link  502 at Thu Aug 12 22:12:24 2021, MaxMem=  5368709120 cpu:            1073.0 elap:             134.5
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l801.exe)
 DoSCS=F DFT=T ScalE2(SS,OS)=  1.000000  1.000000
 Range of M.O.s used for correlation:     1   306
 NBasis=   306 NAE=    33 NBE=    33 NFC=     0 NFV=     0
 NROrb=    306 NOA=    33 NOB=    33 NVA=   273 NVB=   273

 **** Warning!!: The largest alpha MO coefficient is  0.11405154D+03

 Leave Link  801 at Thu Aug 12 22:12:24 2021, MaxMem=  5368709120 cpu:               0.3 elap:               0.1
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l1002.exe)
 Minotr:  Closed shell wavefunction.
          Direct CPHF calculation.
          Differentiating once with respect to electric field.
                with respect to dipole field.
                with respect to quadrupole field.
          Differentiating once with respect to magnetic field using GIAOs.
          Electric field/nuclear overlap derivatives assumed to be zero.
          Requested convergence is 1.0D-08 RMS, and 1.0D-07 maximum.
          Secondary convergence is 1.0D-12 RMS, and 1.0D-12 maximum.
          NewPWx=F KeepS1=T KeepF1=T KeepIn=T MapXYZ=F SortEE=F KeepMc=T.
         6185 words used for storage of precomputed grid.
 Two-electron integral symmetry used by symmetrizing perturbed Fock matrices.
          MDV=    5368709120 using IRadAn=       1.
          Solving linear equations simultaneously, MaxMat=     384.
          Doing perturbations at frequencies    0.085645
 FoFCou: FMM=F IPFlag=           0 FMFlag=      100000 FMFlg1=           0
         NFxFlg=           0 DoJE=F BraDBF=F KetDBF=T FulRan=T
         wScrn=  0.000000 ICntrl=      6100 IOpCl=  0 I1Cent=           7 NGrid=          20
         NMat0=    1 NMatS0=      1 NMatT0=    0 NMatD0=    1 NMtDS0=    0 NMtDT0=    0
 Symmetry not used in FoFCou.
 FoFJK:  IHMeth= 1 ICntrl=    6127 DoSepK=T KAlg= 0 I1Cent=           0 FoldK=F
 IRaf=         1 NMat=       1 IRICut=       1 DoRegI=T DoRafI=F ISym2E= 0 IDoP0=0 IntGTp=1.
 CalDSu exits because no D1Ps are significant.
          There are    12 degrees of freedom in the 1st order CPHF.  IDoFFX=0 NUNeed=    12.
     11 vectors produced by pass  0 Test12= 1.50D-13 8.33D-09 XBig12= 1.00D+00 3.37D-01.
 AX will form    11 AO Fock derivatives at one time.
     11 vectors produced by pass  1 Test12= 1.50D-13 8.33D-09 XBig12= 2.05D-01 6.66D-02.
     11 vectors produced by pass  2 Test12= 1.50D-13 8.33D-09 XBig12= 3.78D-02 4.96D-02.
     11 vectors produced by pass  3 Test12= 1.50D-13 8.33D-09 XBig12= 3.44D-03 1.16D-02.
     11 vectors produced by pass  4 Test12= 1.50D-13 8.33D-09 XBig12= 3.85D-04 5.02D-03.
     11 vectors produced by pass  5 Test12= 1.50D-13 8.33D-09 XBig12= 2.97D-05 7.81D-04.
     11 vectors produced by pass  6 Test12= 1.50D-13 8.33D-09 XBig12= 1.03D-06 2.00D-04.
     11 vectors produced by pass  7 Test12= 1.50D-13 8.33D-09 XBig12= 2.16D-08 2.51D-05.
     11 vectors produced by pass  8 Test12= 1.50D-13 8.33D-09 XBig12= 3.97D-10 3.23D-06.
      9 vectors produced by pass  9 Test12= 1.50D-13 8.33D-09 XBig12= 8.80D-12 3.51D-07.
      7 vectors produced by pass 10 Test12= 1.50D-13 8.33D-09 XBig12= 1.70D-13 5.98D-08.
      1 vectors produced by pass 11 Test12= 1.50D-13 8.33D-09 XBig12= 8.42D-15 9.31D-09.
 InvSVY:  IOpt=1 It=  1 EMax= 2.13D-14
 Solved reduced A of dimension   116 with    12 vectors.
 FullF1:  Do perturbations      1 to      12.
 SCF Polarizability for W=    0.085645:
                1             2             3 
      1  0.134967D+03
      2  0.848764D+00  0.108808D+03
      3 -0.701644D+00  0.231011D+01  0.797943D+02
 Isotropic polarizability for W=    0.085645      107.86 Bohr**3.
 Dipole-quadrupole polarizability for W=    0.085645:
                 1             2             3 
      1  -0.652593D+02  0.183449D+01  0.413280D+01
      2   0.148297D+02  0.387421D+01  0.504077D+01
      3   0.504296D+02 -0.570869D+01 -0.917357D+01
      4   0.969864D+01 -0.746193D+02 -0.176209D+02
      5  -0.900180D+01 -0.169723D+02  0.481751D+02
      6  -0.560348D+01 -0.582539D+01  0.244750D+01
 Dipole-magnetic dipole polarizability for W=    0.085645:
                 1             2             3 
      1   0.129053D+01 -0.190049D+01 -0.878917D+00
      2   0.234247D+01 -0.778321D+01  0.172604D+02
      3  -0.502940D+01  0.359948D+02  0.692686D+01
 DQ contribution to OR G for W=    0.085645:
                 1             2             3 
      1   0.648589D+00 -0.108662D+02 -0.815620D+01
      2   0.131346D+02 -0.120174D+02 -0.225447D+01
      3   0.786416D+01  0.894490D+02  0.113689D+02
 Optical Rotation G' tensor for W=    0.085645:
                 1             2             3 
      1  -0.266028D+00  0.173060D+00  0.144057D+01
      2   0.173060D+00  0.110433D+01 -0.241448D+01
      3   0.144057D+01 -0.241448D+01 -0.404128D+00
 OR G Eigenvalues:    -2.8254     0.2106     3.0490  Iso=    -0.1447
 Eigenvectors:
   (1)  -0.454567   0.480734   0.749842
   (2)   0.860387   0.454782   0.230015
   (3)  -0.230439   0.749712  -0.620346
 w=    0.085645 a.u., Optical Rotation Beta=     -0.1447 au.
 Molar Mass =    121.1816 grams/mole, [Alpha] ( 5320.0 A) =      -56.64 deg.
 PxScal for PaGxPb-FJK:  IOpCl= 0 ISclPx=1 IMOff=     1 NMtTot=    25 NTT=   46971 ScalPx= 1.78D+02
 PxSclF for G(T1ab):  IOpCl= 0 ISclPx=1 IMOff=     0 NMtTot=    36 NTT=   46971 IRwP= 19996     0 IPTmp= 19977     0 ScalPx= 4.11D+03
 FullF1:  Do perturbations      1 to      30.
          There are    36 degrees of freedom in the 2nd order CPHF.
     30 vectors produced by pass  0 Test12= 2.50D-14 2.78D-09 XBig12= 1.00D+00 5.17D-01.
     30 vectors produced by pass  1 Test12= 2.50D-14 2.78D-09 XBig12= 5.44D-02 4.70D-02.
     30 vectors produced by pass  2 Test12= 2.50D-14 2.78D-09 XBig12= 1.66D-03 7.18D-03.
     30 vectors produced by pass  3 Test12= 2.50D-14 2.78D-09 XBig12= 1.51D-05 7.56D-04.
     30 vectors produced by pass  4 Test12= 2.50D-14 2.78D-09 XBig12= 4.21D-07 1.16D-04.
     30 vectors produced by pass  5 Test12= 2.50D-14 2.78D-09 XBig12= 6.48D-09 8.60D-06.
     30 vectors produced by pass  6 Test12= 2.50D-14 2.78D-09 XBig12= 5.73D-11 7.04D-07.
     30 vectors produced by pass  7 Test12= 2.50D-14 2.78D-09 XBig12= 4.48D-13 5.99D-08.
      6 vectors produced by pass  8 Test12= 2.50D-14 2.78D-09 XBig12= 4.37D-15 5.80D-09.
      2 vectors produced by pass  9 Test12= 2.50D-14 2.78D-09 XBig12= 1.25D-15 4.82D-09.
 InvSVY:  IOpt=1 It=  1 EMax= 1.55D-15
 Solved reduced A of dimension   248 with    30 vectors.
 PxScal for FxTab-FJK:  IOpCl= 0 ISclPx=1 IMOff=     0 NMtTot=    30 NTT=   46971 ScalPx= 6.70D+03
 PxScal for FxTab-XC:  IOpCl= 0 ISclPx=1 IMOff=     0 NMtTot=    30 NTT=   46971 ScalPx= 6.70D+03
 PxSclF for G(Xab):  IOpCl= 0 ISclPx=1 IMOff=     0 NMtTot=    36 NTT=   46971 IRwP= 19978     0 IPTmp= 19973     0 ScalPx= 5.47D+03
 FullF1:  Do perturbations      1 to      30.
 End of Minotr F.D. properties on file   721 Mask=       B NFrqRd=     1 NDeriv=     1 ND12= 1 LenFil=      39:
 Frequencies=    0.085645
 Property number 1 -- Alpha(-w,w) frequency  1    0.085645:
                 1             2             3 
      1   0.134967D+03  0.848764D+00 -0.701644D+00
      2   0.848764D+00  0.108808D+03  0.231011D+01
      3  -0.701644D+00  0.231011D+01  0.797943D+02
 Property number 2 -- FD Optical Rotation Tensor frequency  1    0.085645:
                 1             2             3 
      1   0.129053D+01 -0.190049D+01 -0.878917D+00
      2   0.234247D+01 -0.778321D+01  0.172604D+02
      3  -0.502940D+01  0.359948D+02  0.692686D+01
 Property number 4 -- D-Q polarizability frequency  1    0.085645:
                 1             2             3 
      1  -0.652593D+02  0.183449D+01  0.413280D+01
      2   0.148297D+02  0.387421D+01  0.504077D+01
      3   0.504296D+02 -0.570869D+01 -0.917357D+01
      4   0.969864D+01 -0.746193D+02 -0.176209D+02
      5  -0.900180D+01 -0.169723D+02  0.481751D+02
      6  -0.560348D+01 -0.582539D+01  0.244750D+01
 End of Minotr F.D. properties on file   722 Mask=       B NFrqRd=     1 NDeriv=    60 ND12= 1 LenFil=    2163:
 Frequencies=    0.085645
 Property number 1 -- Alpha(-w,w) derivatives, frequency  1    0.085645:
                 1             2             3             4             5 
      1   0.365192D+01 -0.710246D+00 -0.175989D+00  0.549436D+01 -0.472905D+00
      2  -0.710246D+00 -0.229325D+01 -0.640132D-01 -0.472905D+00  0.165853D+01
      3  -0.175989D+00 -0.640132D-01 -0.104733D+01  0.162617D+00 -0.544134D+00
                 6             7             8             9            10 
      1   0.162617D+00  0.687717D+00  0.229322D+00 -0.200053D+01 -0.286344D+01
      2  -0.544134D+00  0.229322D+00 -0.679630D+00  0.426030D+01 -0.758446D+00
      3   0.274747D+01 -0.200053D+01  0.426030D+01  0.130558D+01  0.537571D-01
                11            12            13            14            15 
      1  -0.758446D+00  0.537571D-01  0.810938D+01  0.311681D+00 -0.670289D-01
      2   0.399823D+01  0.220369D+00  0.311681D+00  0.107745D+01 -0.293261D+00
      3   0.220369D+00  0.210122D+01 -0.670289D-01 -0.293261D+00  0.148910D+01
                16            17            18            19            20 
      1   0.852019D+00 -0.498636D-01  0.176383D+01  0.156448D+02 -0.136351D+01
      2  -0.498636D-01 -0.558163D+00  0.326764D+01 -0.136351D+01  0.259485D+01
      3   0.176383D+01  0.326764D+01  0.837149D+00  0.568202D-01  0.223381D+00
                21            22            23            24            25 
      1   0.568202D-01 -0.258166D+01 -0.174294D+01 -0.878086D+00 -0.421146D+00
      2   0.223381D+00 -0.174294D+01 -0.698470D+00 -0.179337D+00 -0.636578D+00
      3   0.190277D+01 -0.878086D+00 -0.179337D+00  0.419709D+00  0.427818D+01
                26            27            28            29            30 
      1  -0.636578D+00  0.427818D+01 -0.435342D+01  0.266407D+01  0.209382D+00
      2  -0.382863D-01 -0.320537D+00  0.266407D+01  0.291564D+01  0.100335D+00
      3  -0.320537D+00  0.160400D-01  0.209382D+00  0.100335D+00  0.157315D+01
                31            32            33            34            35 
      1  -0.655011D+01  0.170974D+00 -0.152620D-01 -0.745362D+00 -0.196555D+00
      2   0.170974D+00 -0.178406D+01  0.311504D+00 -0.196555D+00  0.568790D+00
      3  -0.152620D-01  0.311504D+00 -0.232308D+01  0.122564D+01 -0.404170D+01
                36            37            38            39            40 
      1   0.122564D+01  0.184440D+01 -0.661506D+00 -0.242384D-02 -0.602041D+01
      2  -0.404170D+01 -0.661506D+00 -0.389951D+01 -0.367707D+00  0.655300D+00
      3  -0.120549D+01 -0.242384D-02 -0.367707D+00 -0.177252D+01  0.291737D+00
                41            42            43            44            45 
      1   0.655300D+00  0.291737D+00 -0.819848D+00  0.336278D+00 -0.321186D+01
      2  -0.379294D+00  0.625431D+00  0.336278D+00  0.694014D+00 -0.364418D+01
      3   0.625431D+00 -0.231464D+01 -0.321186D+01 -0.364418D+01 -0.970716D+00
                46            47            48            49            50 
      1  -0.600465D+01  0.254705D+00  0.712985D-02  0.956905D+00  0.121926D+01
      2   0.254705D+00 -0.347960D+01 -0.455757D-01  0.121926D+01 -0.485688D+00
      3   0.712985D-02 -0.455757D-01 -0.325178D+01  0.818792D+00 -0.248133D+00
                51            52            53            54            55 
      1   0.818792D+00  0.242987D-01  0.705369D+00 -0.567068D+01 -0.199777D+01
      2  -0.248133D+00  0.705369D+00 -0.150482D+00  0.683164D+00 -0.644753D+00
      3   0.473325D+00 -0.567068D+01  0.683164D+00  0.277861D+00  0.227770D+00
                56            57            58            59            60 
      1  -0.644753D+00  0.227770D+00 -0.233324D+01 -0.129330D+01  0.155860D+01
      2  -0.740297D+00  0.144655D+01 -0.129330D+01  0.583642D+01  0.296769D+01
      3   0.144655D+01 -0.443449D+01  0.155860D+01  0.296769D+01 -0.325672D+01
                61            62            63            64            65 
      1  -0.466848D+00  0.118327D+01 -0.610511D+01 -0.833507D+01 -0.162619D-02
      2   0.118327D+01  0.234779D+01 -0.761521D+00 -0.162619D-02  0.101345D+01
      3  -0.610511D+01 -0.761521D+00  0.181012D+00 -0.889589D-01 -0.626559D+00
                66            67            68            69            70 
      1  -0.889589D-01  0.273742D+00  0.122793D+01 -0.969553D+00  0.295951D+01
      2  -0.626559D+00  0.122793D+01 -0.386990D+01 -0.123277D+01 -0.895296D+00
      3   0.153911D+01 -0.969553D+00 -0.123277D+01  0.621325D-02  0.354210D+01
                71            72            73            74            75 
      1  -0.895296D+00  0.354210D+01 -0.882275D+01  0.196814D+01  0.198090D+00
      2  -0.206948D+01 -0.998271D+00  0.196814D+01  0.113708D+01 -0.929053D+00
      3  -0.998271D+00  0.408358D+01  0.198090D+00 -0.929053D+00  0.497429D+01
                76            77            78            79            80 
      1   0.458726D+01  0.904484D+00 -0.138099D+01 -0.264773D+01 -0.130819D+01
      2   0.904484D+00 -0.474609D+01 -0.185527D+01 -0.130819D+01 -0.182215D+01
      3  -0.138099D+01 -0.185527D+01  0.367699D+01  0.429317D+01  0.197161D+01
                81            82            83            84            85 
      1   0.429317D+01 -0.690372D+00  0.473013D+00 -0.416183D-01  0.204782D+01
      2   0.197161D+01  0.473013D+00 -0.111382D+01 -0.235612D+00 -0.376124D-01
      3   0.368877D+01 -0.416183D-01 -0.235612D+00 -0.876089D+00  0.435963D+00
                86            87            88            89            90 
      1  -0.376124D-01  0.435963D+00  0.748386D+00  0.245070D+00  0.291448D+00
      2   0.408025D+01  0.239354D+01  0.245070D+00  0.256382D+01  0.955951D+00
      3   0.239354D+01  0.209254D+01  0.291448D+00  0.955951D+00  0.220482D+01
                91            92            93            94            95 
      1   0.861917D-01 -0.118351D+01 -0.388005D+00 -0.246798D+01  0.178094D+01
      2  -0.118351D+01  0.123372D+01  0.104729D+00  0.178094D+01 -0.694614D+01
      3  -0.388005D+00  0.104729D+00  0.892656D+00  0.576119D-01 -0.136805D+01
                96            97            98            99           100 
      1   0.576119D-01 -0.450204D+00  0.167824D+00  0.914904D+00  0.654854D+00
      2  -0.136805D+01  0.167824D+00 -0.129389D+01 -0.118133D+01  0.575317D+00
      3  -0.141588D+01  0.914904D+00 -0.118133D+01 -0.781616D+00  0.928283D-01
               101           102           103           104           105 
      1   0.575317D+00  0.928283D-01  0.188568D+01  0.666064D+00 -0.343507D+00
      2  -0.137475D+00  0.167659D+00  0.666064D+00  0.661736D+01 -0.198690D+00
      3   0.167659D+00 -0.582568D+00 -0.343507D+00 -0.198690D+00  0.143027D+01
               106           107           108           109           110 
      1   0.712925D+00  0.293311D+00 -0.333136D+00 -0.162626D+00 -0.331164D+00
      2   0.293311D+00  0.881265D+00  0.625880D+00 -0.331164D+00 -0.500181D+00
      3  -0.333136D+00  0.625880D+00 -0.242682D+00 -0.966357D+00  0.519666D-01
               111           112           113           114           115 
      1  -0.966357D+00 -0.803888D+00 -0.133965D+00  0.155674D+00 -0.153022D+01
      2   0.519666D-01 -0.133965D+00 -0.138756D+00 -0.930608D+00 -0.126612D+00
      3  -0.288560D+01  0.155674D+00 -0.930608D+00 -0.170433D+01 -0.525461D+00
               116           117           118           119           120 
      1  -0.126612D+00 -0.525461D+00  0.127375D+02 -0.720480D+00 -0.202936D+01
      2  -0.106416D+01 -0.356926D+00 -0.720480D+00  0.103516D+01 -0.163818D-01
      3  -0.356926D+00 -0.943818D+01 -0.202936D+01 -0.163818D-01  0.140747D+01
               121           122           123           124           125 
      1  -0.236000D+01  0.113787D+01  0.536114D+00 -0.764803D-01  0.214031D+00
      2   0.113787D+01 -0.870232D-01 -0.851356D-01  0.214031D+00  0.210600D+00
      3   0.536114D+00 -0.851356D-01 -0.866000D+00  0.927065D+00 -0.250659D+00
               126           127           128           129           130 
      1   0.927065D+00  0.151403D+01 -0.179897D+01 -0.163748D+00 -0.155156D+01
      2  -0.250659D+00 -0.179897D+01  0.226076D+01  0.204414D+00  0.205561D+01
      3  -0.764719D+00 -0.163748D+00  0.204414D+00  0.150153D+00  0.217406D+00
               131           132           133           134           135 
      1   0.205561D+01  0.217406D+00 -0.648016D-01  0.232808D+00 -0.482491D-01
      2  -0.888364D+01 -0.720738D+00  0.232808D+00 -0.802499D+00 -0.918357D-01
      3  -0.720738D+00 -0.850901D+00 -0.482491D-01 -0.918357D-01 -0.309874D-01
               136           137           138           139           140 
      1  -0.493189D+01 -0.386242D+01 -0.363405D+00 -0.377812D+01 -0.449637D+01
      2  -0.386242D+01 -0.353522D+01 -0.282913D+00 -0.449637D+01 -0.658224D+01
      3  -0.363405D+00 -0.282913D+00 -0.519742D+00 -0.417814D+00 -0.549918D+00
               141           142           143           144           145 
      1  -0.417814D+00 -0.294307D+00 -0.407444D+00 -0.246886D-01 -0.128986D+02
      2  -0.549918D+00 -0.407444D+00 -0.625864D+00  0.464615D-02  0.147406D+01
      3  -0.716609D+00 -0.246886D-01  0.464615D-02 -0.374115D-01  0.236717D+00
               146           147           148           149           150 
      1   0.147406D+01  0.236717D+00  0.150776D+01 -0.172745D+01 -0.202843D+00
      2  -0.893044D+00 -0.195313D-01 -0.172745D+01  0.529092D+00  0.493246D-01
      3  -0.195313D-01 -0.804926D+00 -0.202843D+00  0.493246D-01  0.131580D+00
               151           152           153           154           155 
      1   0.206040D+00 -0.216961D+00  0.188341D+00 -0.214271D+01  0.255224D+01
      2  -0.216961D+00  0.508636D-01  0.484808D-02  0.255224D+01 -0.281337D+01
      3   0.188341D+00  0.484808D-02  0.222686D-01  0.275165D+00 -0.279114D+00
               156           157           158           159           160 
      1   0.275165D+00  0.223732D+01 -0.380044D+01 -0.412292D+00  0.270038D+00
      2  -0.279114D+00 -0.380044D+01  0.959795D+01  0.945177D+00 -0.416748D+00
      3  -0.325412D+00 -0.412292D+00  0.945177D+00  0.859471D+00 -0.312566D-02
               161           162           163           164           165 
      1  -0.416748D+00 -0.312566D-02  0.336872D+01  0.229630D+01  0.131283D+00
      2   0.103937D+01  0.321182D-01  0.229630D+01  0.234414D+01  0.177221D+00
      3   0.321182D-01  0.592177D-01  0.131283D+00  0.177221D+00  0.283573D+00
               166           167           168           169           170 
      1   0.262542D+01  0.290323D+01  0.236751D+00  0.603269D-01  0.207293D+00
      2   0.290323D+01  0.560875D+01  0.433728D+00  0.207293D+00  0.495292D+00
      3   0.236751D+00  0.433728D+00  0.735900D+00 -0.961598D-01  0.365912D-01
               171           172           173           174           175 
      1  -0.961598D-01  0.137009D+02 -0.221216D+00  0.273092D+01 -0.127869D+01
      2   0.365912D-01 -0.221216D+00  0.872747D+00  0.169836D+00  0.671639D+00
      3  -0.579447D-02  0.273092D+01  0.169836D+00  0.167607D+01  0.216109D+00
               176           177           178           179           180 
      1   0.671639D+00  0.216109D+00  0.995676D+00  0.439664D+00  0.594324D+00
      2  -0.404491D+00  0.479656D+00  0.439664D+00  0.252808D+00 -0.195780D+00
      3   0.479656D+00 -0.614408D+00  0.594324D+00 -0.195780D+00  0.801302D+00
 Property number 2 -- FD Optical Rotation Tensor derivatives, frequency  1    0.085645:
                 1             2             3             4             5 
      1   0.268054D+00 -0.114233D+00  0.222643D+01 -0.489841D+00  0.238029D+00
      2   0.505018D+00  0.146929D+01 -0.251796D+00  0.525074D+00  0.153555D+01
      3  -0.430307D+01 -0.141140D+02 -0.154265D+01  0.365379D+01  0.807039D+00
                 6             7             8             9            10 
      1  -0.404276D+01  0.500704D+01  0.502701D+00 -0.562469D+00 -0.746054D+00
      2  -0.646899D+01 -0.850456D+01 -0.990986D+01 -0.223938D+01 -0.423011D+00
      3  -0.113304D+01  0.305603D-02 -0.155130D+01  0.541995D+01  0.532367D+00
                11            12            13            14            15 
      1   0.146992D+00 -0.345378D+01  0.452940D+00 -0.165442D+00 -0.207914D+01
      2   0.621098D-01 -0.153347D+01  0.108788D+01 -0.462230D+00 -0.111786D+01
      3   0.115492D+01  0.387881D+00  0.909136D+00  0.581312D+01 -0.439326D-01
                16            17            18            19            20 
      1  -0.695161D+01  0.317433D+01 -0.814540D-02  0.419713D+00 -0.166770D-01
      2  -0.130131D+02 -0.846136D-01 -0.374113D+00  0.632627D+00 -0.409635D+00
      3  -0.117495D+01  0.140154D+00  0.594220D+01 -0.317599D+01  0.657215D+01
                21            22            23            24            25 
      1   0.357572D-01  0.538689D+00 -0.112902D+01  0.176722D+01  0.110541D+01
      2  -0.237436D+01 -0.630812D+00 -0.788503D+00  0.127527D+01 -0.151623D+02
      3   0.421171D+00  0.153438D+02 -0.671115D+00  0.111400D+01 -0.692563D-01
                26            27            28            29            30 
      1   0.103907D+02  0.113338D+01 -0.156903D+00 -0.225881D+00  0.255307D+01
      2   0.230689D-01 -0.452691D+00 -0.897329D+00  0.301502D+00 -0.129536D+01
      3   0.823946D+00 -0.181494D+01  0.690615D+01 -0.456882D+01 -0.574400D+00
                31            32            33            34            35 
      1  -0.860412D+00  0.185215D+00 -0.310002D+01  0.422543D+01  0.251504D+00
      2   0.133160D+01  0.725587D+00  0.155308D+01 -0.137301D+02  0.202037D+01
      3   0.506092D+01 -0.640252D+01 -0.403241D+00 -0.932877D+00 -0.269203D+00
                36            37            38            39            40 
      1  -0.433160D+00  0.806268D-02  0.133477D+00 -0.312453D+01  0.776065D+00
      2   0.108368D+01  0.192287D+00  0.895806D+00  0.231574D+01 -0.293204D+00
      3  -0.537261D+01 -0.423975D+01 -0.100803D+02 -0.898043D+00  0.681889D+01
                41            42            43            44            45 
      1  -0.150299D-02 -0.211844D+01 -0.693597D+01  0.404587D+01  0.226234D+00
      2  -0.176545D+01  0.753455D+01 -0.325430D+01  0.105892D+02  0.242221D+01
      3  -0.147033D+01  0.116198D+01  0.555322D+00  0.133052D+01 -0.491508D+01
                46            47            48            49            50 
      1   0.548032D-01 -0.265274D-03  0.120399D+01 -0.181658D+00 -0.177787D+01
      2  -0.380972D+00 -0.284261D+00  0.918333D+01 -0.235416D+01  0.177245D+00
      3   0.321082D+01 -0.706327D+01  0.283706D+00  0.127308D+02  0.244705D+01
                51            52            53            54            55 
      1   0.310496D+01  0.227584D+01  0.113677D+02  0.158451D+01 -0.111556D+00
      2  -0.200846D+01  0.857934D+01 -0.252144D+01 -0.728929D+00  0.735997D+00
      3  -0.226993D+00  0.210690D+01 -0.211879D+00  0.135523D+01  0.491506D+01
                56            57            58            59            60 
      1  -0.948825D+00  0.764522D+00  0.559355D+00 -0.447863D+00 -0.527140D+01
      2   0.209805D+01 -0.520588D+01  0.139737D+01  0.615366D+01 -0.646021D+01
      3   0.285518D+01 -0.248832D+01  0.968580D+01 -0.130230D+02 -0.827648D+01
                61            62            63            64            65 
      1  -0.194622D+01 -0.122551D+01  0.768753D+00 -0.135281D+01  0.360472D+01
      2  -0.141897D+02  0.606201D-01 -0.275052D+01  0.165336D+02 -0.841020D+00
      3  -0.302309D+00 -0.610560D+01  0.482244D+01  0.306107D+01 -0.751897D+01
                66            67            68            69            70 
      1  -0.174715D+01  0.508878D+00 -0.935248D+01 -0.828940D+01  0.559735D+00
      2   0.102596D+02  0.474819D+00 -0.575645D+01  0.936557D+00  0.254856D+01
      3   0.817243D+00 -0.620336D+00  0.108683D+02  0.567236D+01 -0.113516D+01
                71            72            73            74            75 
      1   0.101418D+01  0.248553D+01 -0.311938D+01 -0.193092D+01 -0.136933D+01
      2  -0.225570D+01  0.748506D+01 -0.107396D+02  0.294232D+00  0.156626D+02
      3   0.638370D+01  0.875872D+00 -0.117744D+02 -0.605042D+01  0.360212D+01
                76            77            78            79            80 
      1  -0.984642D-01  0.825616D+01 -0.119790D+01 -0.576249D-01  0.358261D+01
      2   0.305312D+00 -0.330776D+01  0.697977D+01  0.673580D+01  0.353601D+01
      3  -0.688561D+00  0.163232D+02  0.486567D+01  0.416199D+01  0.444152D+01
                81            82            83            84            85 
      1  -0.870161D+01  0.206381D+01 -0.279545D+01  0.582012D+00 -0.981296D+00
      2   0.187428D+02  0.245201D+01 -0.141851D+01 -0.136209D+01 -0.280131D+01
      3  -0.471768D+01 -0.317442D+01  0.385299D+01  0.207734D+00  0.366275D+01
                86            87            88            89            90 
      1   0.104382D+02  0.284296D+01  0.452797D+00  0.588072D+01  0.146057D+01
      2   0.668882D+01  0.486798D+01 -0.661663D+00  0.186745D+01  0.402480D+01
      3  -0.103930D+02 -0.651793D+01 -0.891959D+00 -0.637334D+01 -0.248340D+01
                91            92            93            94            95 
      1   0.419318D+00 -0.238036D+00  0.754065D+00  0.488290D-01  0.140418D+01
      2  -0.100022D+01  0.168778D+00  0.234705D+01 -0.464323D+00 -0.284083D+01
      3   0.340074D+01 -0.300539D+01 -0.107990D+00  0.259800D+01  0.139855D+02
                96            97            98            99           100 
      1  -0.272971D+01  0.760813D+00  0.151966D+01 -0.528574D+00 -0.128322D+01
      2  -0.297291D+01 -0.259721D+00 -0.196825D+01 -0.107301D+01  0.414993D+00
      3   0.303952D+01  0.429702D+00  0.295121D+01  0.171109D+01 -0.283911D+01
               101           102           103           104           105 
      1   0.371970D+00  0.525028D+00  0.186633D+00 -0.103342D+02 -0.339806D+01
      2   0.744456D+00 -0.790713D+00  0.113848D+01  0.303547D+00  0.318135D+01
      3   0.104448D+01  0.157642D+00  0.355602D+01 -0.190719D+02 -0.503498D+00
               106           107           108           109           110 
      1   0.156348D+00 -0.299676D+00 -0.963880D+00  0.975126D+00  0.176206D+01
      2  -0.128704D+01  0.133258D+01 -0.744456D+00 -0.422336D+01 -0.468847D+00
      3   0.822663D+00 -0.302234D+01 -0.207252D+01  0.966824D+00  0.911379D+00
               111           112           113           114           115 
      1   0.137983D+01  0.906877D+00  0.449293D+00  0.116184D+01  0.868317D+00
      2  -0.801818D+01 -0.126881D+01 -0.217137D+01 -0.417810D+01 -0.711098D+01
      3  -0.555032D+00  0.151890D+01  0.137606D+00  0.184261D+01 -0.561366D+00
               116           117           118           119           120 
      1   0.465415D+01  0.466599D+01  0.154425D+01 -0.215877D+01 -0.261073D+00
      2  -0.145396D+01 -0.243021D+02  0.100531D+02 -0.122543D+01  0.520504D+01
      3   0.208517D+01  0.360214D+00  0.678429D+01 -0.711240D+01 -0.491353D+00
               121           122           123           124           125 
      1  -0.154257D+01  0.804171D-01 -0.678166D+00 -0.201377D+00  0.417365D+00
      2  -0.135326D+01  0.966459D+00 -0.214936D+01  0.442018D+00 -0.585450D+00
      3  -0.285726D+01  0.165392D+00  0.905988D-01 -0.104544D+01 -0.400234D-01
               126           127           128           129           130 
      1   0.563400D+00  0.247734D-01 -0.160657D+00  0.143637D+01  0.428899D-01
      2  -0.142414D+01  0.656055D+00 -0.447637D+00  0.371519D+00 -0.579246D+00
      3   0.104525D+01 -0.609783D+01  0.383062D+01  0.432126D+00  0.728923D+01
               131           132           133           134           135 
      1   0.351535D+00 -0.422565D+01 -0.489866D+00  0.218573D+01 -0.817138D-01
      2   0.100508D+01 -0.542360D+00 -0.138573D+01  0.106645D+00 -0.153542D+00
      3  -0.908857D+01 -0.959252D+00  0.644328D+00 -0.731888D+00  0.957054D-01
               136           137           138           139           140 
      1   0.600742D-01  0.268128D+00 -0.226732D+01 -0.746662D-01  0.232472D+00
      2   0.374206D-01  0.115827D+00  0.294051D+01  0.411312D+00  0.796732D+00
      3  -0.148868D+01 -0.493547D+01 -0.138524D+00 -0.349067D+01 -0.110863D+02
               141           142           143           144           145 
      1  -0.327303D+01  0.958206D+00  0.162389D+01 -0.183641D+00 -0.299227D-01
      2   0.319425D+01 -0.112753D+01 -0.808818D+00  0.139375D+00 -0.274718D+00
      3  -0.745963D+00 -0.371313D+00 -0.107132D+01  0.112937D+00  0.825684D+00
               146           147           148           149           150 
      1  -0.797114D-01  0.693200D+00  0.420273D-01 -0.165843D-01 -0.508471D+00
      2  -0.524428D-01  0.600313D+01  0.753761D+00 -0.129060D+00 -0.854790D+00
      3  -0.542374D+01  0.717644D-01 -0.389313D+01  0.173030D+01  0.124147D+00
               151           152           153           154           155 
      1  -0.465926D+00  0.534462D+00  0.585442D-02 -0.537018D-01 -0.917715D-01
      2  -0.324110D+01  0.253165D+00 -0.999719D-01 -0.122778D+00  0.139553D+00
      3  -0.885017D+00  0.245017D+00 -0.133556D+00  0.719241D+00 -0.269417D+01
               156           157           158           159           160 
      1   0.154830D+01  0.121752D+00  0.161176D+00 -0.443039D+01 -0.671324D+00
      2   0.146066D+01  0.238325D+00 -0.124631D+01 -0.269621D+01 -0.707451D+00
      3  -0.120190D+00 -0.117130D+01  0.140813D+02  0.119956D+01 -0.128217D+00
               161           162           163           164           165 
      1   0.200051D+01 -0.301384D+00  0.195225D+00  0.427227D+00 -0.226521D+01
      2   0.599340D+00 -0.196842D+00 -0.114880D+01 -0.325556D+00  0.916504D+00
      3   0.161855D+01  0.725273D-01  0.988318D+01  0.351069D+01  0.935606D-01
               166           167           168           169           170 
      1   0.141800D+00  0.595456D-01 -0.317341D+01  0.267826D+00  0.205633D+01
      2  -0.571103D+00 -0.594703D+00  0.156471D+01 -0.160409D+01 -0.143423D+00
      3   0.780927D+01  0.523397D+01  0.502911D+00 -0.159378D-01  0.456559D+00
               171           172           173           174           175 
      1  -0.107194D-02  0.820330D+00  0.204663D+01  0.785809D+00  0.252569D+00
      2   0.130716D+00 -0.133528D+02  0.338578D+00  0.406643D+01  0.265229D+01
      3  -0.142718D+00 -0.453644D+01 -0.557075D+01 -0.711927D+00 -0.429054D+00
               176           177           178           179           180 
      1   0.213966D+00 -0.261305D+00  0.150642D+01  0.728014D+00  0.249043D-01
      2   0.709984D+00 -0.163827D+01 -0.553402D+00 -0.107978D+01  0.860343D+00
      3   0.367832D-01 -0.115229D+01 -0.121017D+01 -0.109947D+01 -0.160920D+00
 Property number 4 -- D-Q polarizability derivatives, frequency  1    0.085645:
                 1             2             3             4             5 
      1   0.101289D+02  0.228432D+02  0.228189D+01 -0.219926D+02  0.113275D+02
      2  -0.986682D+01 -0.148368D+02 -0.397162D+00  0.204839D+02 -0.178366D+02
      3  -0.262063D+00 -0.800641D+01 -0.188472D+01  0.150872D+01  0.650910D+01
      4   0.180218D+02 -0.529997D+01 -0.600830D+00  0.135455D+02  0.311051D+01
      5   0.148762D+01 -0.155383D+00 -0.219503D+01 -0.198260D+00  0.343146D+01
      6  -0.158653D+01 -0.369816D+00 -0.489425D+01  0.266066D+01 -0.548835D+01
                 6             7             8             9            10 
      1   0.170671D+01 -0.240442D+01  0.146071D+01 -0.633634D+01 -0.127463D+01
      2  -0.355371D+01  0.364671D+01 -0.526959D+01 -0.259004D+01 -0.194260D+00
      3   0.184700D+01 -0.124229D+01  0.380888D+01  0.892639D+01  0.146889D+01
      4   0.336825D+01 -0.247901D+00  0.425272D+01 -0.165952D+02 -0.127137D+02
      5  -0.138058D+02  0.139331D+02 -0.167759D+02 -0.460833D+01 -0.748495D+00
      6   0.923727D+01 -0.719174D+01  0.178493D+02  0.189465D+01  0.346661D+00
                11            12            13            14            15 
      1  -0.191833D+02 -0.223237D+01  0.612850D+01  0.312048D+01  0.183648D+01
      2   0.139441D+02 -0.447179D+00 -0.162639D+02 -0.702841D+01 -0.170710D+01
      3   0.523921D+01  0.267954D+01  0.101354D+02  0.390793D+01 -0.129373D+00
      4  -0.124811D+02 -0.905065D+00  0.547625D+01 -0.136493D+02 -0.116017D+01
      5  -0.107564D+01 -0.252609D+01  0.827665D+00 -0.108649D+01  0.101805D+01
      6  -0.874281D-01  0.810225D+01 -0.385112D+01 -0.265365D+01  0.491562D+01
                16            17            18            19            20 
      1   0.638978D+00  0.183856D+01 -0.152932D+02 -0.203241D+02  0.419673D+01
      2  -0.334013D+01 -0.320603D+01  0.227064D+01  0.546419D+01 -0.385491D+01
      3   0.270115D+01  0.136746D+01  0.130226D+02  0.148599D+02 -0.341818D+00
      4   0.116264D+01 -0.110414D+01 -0.262970D+01  0.187451D+01  0.125856D+01
      5   0.569342D+00 -0.134614D+01 -0.143806D+00  0.187397D+01  0.160820D+00
      6   0.679001D+01  0.114281D+02  0.585775D+00 -0.156648D+01 -0.538906D+00
                21            22            23            24            25 
      1   0.154313D+01  0.122248D+01 -0.758251D+01 -0.439718D+00 -0.745568D-01
      2  -0.177236D+00  0.365456D+01  0.158205D+02  0.351830D+01  0.175907D+01
      3  -0.136590D+01 -0.487704D+01 -0.823804D+01 -0.307859D+01 -0.168452D+01
      4   0.276899D+00 -0.110306D+02  0.666759D+00 -0.105765D+01 -0.230012D+01
      5   0.112858D+00 -0.337863D+01 -0.879517D+00  0.250269D+01  0.914365D+01
      6  -0.200982D+01  0.120191D+01  0.213363D+01 -0.421030D+01 -0.172655D+01
                26            27            28            29            30 
      1  -0.983437D+00 -0.563660D+01  0.131255D+02  0.117923D+02  0.102103D+01
      2   0.204962D+01 -0.516713D+01 -0.100601D+02 -0.800761D+01  0.516392D+00
      3  -0.106618D+01  0.108037D+02 -0.306543D+01 -0.378472D+01 -0.153742D+01
      4  -0.840908D+00  0.728344D+00  0.440011D+01 -0.191209D+02 -0.196522D+01
      5   0.578246D+00  0.503834D+00 -0.364351D+00 -0.192312D+01 -0.396508D+01
      6   0.489758D+01 -0.161962D+01 -0.533975D+00 -0.102953D+00 -0.560052D+01
                31            32            33            34            35 
      1  -0.104734D+01  0.780028D+01  0.174386D+01 -0.231654D+00  0.166085D+01
      2   0.100091D+02 -0.150093D+02 -0.318839D+01  0.189703D+01 -0.520021D+01
      3  -0.896172D+01  0.720901D+01  0.144452D+01 -0.166538D+01  0.353936D+01
      4   0.963096D+01  0.153508D+02  0.101879D+01 -0.272095D+00  0.802298D+00
      5   0.876977D+00  0.124858D+01  0.993781D+00  0.513631D+01  0.582294D+01
      6   0.235933D+01 -0.392348D+01  0.758945D+01 -0.249149D+01  0.170698D+02
                36            37            38            39            40 
      1  -0.161110D+02 -0.200974D+01 -0.254983D+02 -0.332037D+01  0.294617D+02
      2   0.352627D+01 -0.268635D+00  0.166742D+02  0.177102D+00 -0.294933D+02
      3   0.125848D+02  0.227837D+01  0.882414D+01  0.314327D+01  0.315144D-01
      4   0.688544D+01 -0.142363D+02  0.458509D+01  0.245663D+00  0.948653D+00
      5   0.127942D+01 -0.842531D+00  0.938584D-01  0.505324D+01 -0.237870D+01
      6   0.251212D+01 -0.252972D+00  0.990893D+00  0.756133D+01 -0.379825D+01
                41            42            43            44            45 
      1   0.558580D+01  0.499476D+00  0.273238D+01  0.735235D+00  0.169753D+01
      2  -0.972336D+01 -0.113482D+01 -0.458957D+01 -0.325881D+01 -0.845452D+01
      3   0.413756D+01  0.635340D+00  0.185720D+01  0.252357D+01  0.675699D+01
      4  -0.105607D+02 -0.446633D+01 -0.163338D+01 -0.429341D+01  0.166773D+02
      5  -0.430694D+01  0.158225D+02  0.208486D+02  0.165620D+02  0.524593D+01
      6  -0.373974D+01  0.496922D+01  0.821501D+01  0.136332D+02  0.526780D+00
                46            47            48            49            50 
      1  -0.990609D+01  0.521837D+01  0.791944D+00 -0.974968D+01 -0.230042D+02
      2   0.588754D+01 -0.355095D+01 -0.551334D-01  0.100543D+02  0.209458D+02
      3   0.401855D+01 -0.166742D+01 -0.736810D+00 -0.304667D+00  0.205841D+01
      4   0.192106D+01  0.235552D+02  0.199362D+00 -0.242483D+02  0.337594D+01
      5   0.995311D+00  0.131697D+00  0.208398D+02 -0.606315D+01  0.816414D+00
      6   0.380229D+00  0.342161D+00 -0.288462D+01  0.137837D+01  0.266759D+01
                51            52            53            54            55 
      1  -0.400302D+01 -0.216840D+00 -0.403582D+01  0.154562D+02  0.121109D+02
      2   0.541080D+01  0.115564D+01  0.312189D+01 -0.189805D+02 -0.388344D+01
      3  -0.140778D+01 -0.938805D+00  0.913927D+00  0.352431D+01 -0.822749D+01
      4   0.145392D+01 -0.659883D+01  0.130956D+01 -0.418234D+01 -0.614540D+01
      5  -0.382672D+01  0.383640D+02 -0.389768D+01 -0.141611D+01 -0.713170D+00
      6  -0.641078D+01 -0.282460D+01  0.571008D+01 -0.237800D+01  0.293675D+01
                56            57            58            59            60 
      1  -0.377506D+01  0.323361D+01 -0.935465D+01  0.218890D+01  0.772249D+01
      2   0.301270D+01  0.101330D+01  0.126225D+02 -0.118295D+02 -0.863945D+01
      3   0.762362D+00 -0.424691D+01 -0.326785D+01  0.964062D+01  0.916965D+00
      4  -0.103555D+02  0.692435D+01 -0.650718D+01  0.268969D+02  0.146228D+02
      5   0.628635D+01 -0.227084D+02  0.974378D+01  0.140554D+02 -0.156884D+02
      6   0.351774D+00 -0.215237D+00  0.506647D+01 -0.642236D+01  0.104098D+01
                61            62            63            64            65 
      1   0.251996D+01  0.230629D+01 -0.847098D+01 -0.447276D+02  0.228111D+01
      2   0.313787D+01 -0.428458D+01  0.126283D+02  0.207084D+02 -0.275604D+00
      3  -0.565783D+01  0.197829D+01 -0.415733D+01  0.240192D+02 -0.200551D+01
      4   0.766676D+01  0.116410D+02 -0.539835D+01  0.406129D+01  0.122476D+02
      5  -0.402643D+02 -0.637027D+01  0.330143D+01 -0.180488D+02 -0.438784D+01
      6  -0.374520D+01 -0.107496D+02  0.619693D+01 -0.199418D+01  0.596844D+01
                66            67            68            69            70 
      1  -0.713841D+01 -0.107702D-01  0.669298D+01  0.449111D+00 -0.359088D+01
      2   0.362558D+00  0.982001D+00  0.341714D+01 -0.118593D+01 -0.721523D+01
      3   0.677585D+01 -0.971231D+00 -0.101101D+02  0.736821D+00  0.108061D+02
      4  -0.486611D+01  0.107311D+02 -0.182688D+02 -0.547758D+01 -0.618707D+01
      5   0.129838D+02 -0.601593D+01 -0.269562D+01 -0.202032D+01  0.255442D+02
      6  -0.254684D+01  0.337086D+01 -0.149395D+02 -0.175460D+01 -0.105115D+01
                71            72            73            74            75 
      1  -0.327734D-01 -0.781759D+01 -0.541859D+02  0.853962D+01  0.128855D+02
      2   0.151393D+01 -0.182229D+02  0.300695D+02 -0.283687D+01  0.268707D+01
      3  -0.148116D+01  0.260405D+02  0.241164D+02 -0.570275D+01 -0.155725D+02
      4  -0.977768D+01 -0.440673D+01  0.104093D+02  0.895731D+01 -0.446474D+01
      5  -0.404894D+01  0.215070D+02  0.157547D+02 -0.725645D+01  0.214660D+02
      6   0.354663D+01 -0.517395D+01 -0.687649D+01 -0.358720D+01  0.272852D+01
                76            77            78            79            80 
      1   0.158210D+02  0.767279D+01  0.180754D+00  0.145214D+01  0.164047D+01
      2  -0.113245D+02 -0.155669D+02  0.593901D+01  0.614896D+01  0.204732D+00
      3  -0.449652D+01  0.789410D+01 -0.611976D+01 -0.760111D+01 -0.184520D+01
      4   0.667620D+01 -0.238185D+02 -0.981874D+01 -0.834919D+01 -0.911888D+01
      5  -0.127673D+02 -0.117058D+02  0.173611D+02  0.229368D+02  0.103070D+02
      6  -0.397649D+01  0.769873D+01  0.552286D+01  0.425959D+01  0.622707D+01
                81            82            83            84            85 
      1   0.264437D+02 -0.116405D+01  0.241480D+01  0.310743D+01  0.788078D+01
      2  -0.617092D+00  0.145773D+01 -0.137107D+01 -0.365480D+00 -0.499084D+01
      3  -0.258266D+02 -0.293681D+00 -0.104372D+01 -0.274195D+01 -0.288993D+01
      4   0.129972D+02  0.143687D+01 -0.485338D+01 -0.306876D+00  0.172072D+01
      5   0.370930D+01  0.283740D-01  0.739539D+00 -0.221343D+01  0.548482D+01
      6  -0.105311D+02  0.194269D+01 -0.359543D+01 -0.303621D+00 -0.216755D+00
                86            87            88            89            90 
      1  -0.100541D+02 -0.448957D+01  0.287469D+01 -0.220075D+01 -0.478195D+01
      2   0.524545D+01 -0.180492D+00 -0.166710D+01 -0.340257D+00 -0.125402D+01
      3   0.480866D+01  0.467007D+01 -0.120759D+01  0.254101D+01  0.603597D+01
      4   0.184101D+02  0.109674D+02  0.155709D+01  0.118764D+02  0.371978D+01
      5   0.857903D+01  0.866337D+01  0.395750D+01  0.368801D+01  0.795021D+01
      6   0.149679D+02  0.114071D+02  0.317563D+00  0.109009D+02  0.355880D+01
                91            92            93            94            95 
      1   0.286915D+01 -0.320565D+01 -0.883584D+00 -0.259649D+01 -0.109961D+02
      2   0.258142D+01 -0.271123D+00  0.194877D+00 -0.275181D+01  0.253675D+02
      3  -0.545056D+01  0.347678D+01  0.688708D+00  0.534830D+01 -0.143714D+02
      4  -0.718386D+01  0.115477D+02  0.139757D+01  0.126280D+02 -0.307574D+02
      5  -0.191651D+01  0.125814D+01  0.612528D+01  0.111432D+01 -0.564905D+01
      6   0.177466D+01 -0.121303D+01  0.475891D-02 -0.145031D+01  0.782551D+01
                96            97            98            99           100 
      1  -0.238101D+01 -0.457476D+00 -0.202678D+01 -0.270520D+01  0.483622D+01
      2   0.461769D+01 -0.172626D+00  0.283113D+01  0.207992D+01 -0.428785D+00
      3  -0.223668D+01  0.630102D+00 -0.804344D+00  0.625275D+00 -0.440744D+01
      4  -0.628680D+01  0.152258D+01 -0.582417D+01 -0.477253D+01  0.238788D+01
      5  -0.622520D+01  0.602310D+01 -0.411480D+01 -0.335445D+01 -0.122032D+01
      6   0.573096D+01 -0.913465D+00  0.859100D+01  0.284512D+01 -0.318577D+00
               101           102           103           104           105 
      1   0.314443D+01 -0.212660D+01  0.647242D+01 -0.109845D+02  0.143381D+01
      2  -0.178436D+01 -0.113324D+00 -0.245127D+01  0.240060D+02  0.177481D+01
      3  -0.136006D+01  0.223993D+01 -0.402115D+01 -0.130216D+02 -0.320861D+01
      4   0.212758D+01  0.741441D+00  0.823006D+01  0.333303D+02 -0.782162D+00
      5  -0.189978D+00 -0.157741D+01 -0.431385D+01  0.136410D+00  0.707453D+01
      6   0.398225D+00 -0.108077D+01 -0.157279D+01 -0.142395D+02  0.488440D+01
               106           107           108           109           110 
      1   0.190285D+01  0.117737D+01 -0.442823D+01 -0.159903D+01 -0.169510D+01
      2  -0.117116D+01  0.198895D+01  0.192223D+01 -0.277660D+01  0.272516D+00
      3  -0.731694D+00 -0.316632D+01  0.250600D+01  0.437563D+01  0.142258D+01
      4   0.270174D+01  0.505581D+01  0.240837D+01 -0.171516D+01 -0.176133D+01
      5  -0.614669D+00  0.280233D+01  0.127768D+00 -0.657752D+00  0.944785D+00
      6   0.739475D-02  0.352565D+01  0.634975D+00  0.861991D+00  0.260019D+01
               111           112           113           114           115 
      1  -0.122260D+02 -0.328051D+01 -0.510141D+01 -0.373413D+01 -0.964860D+01
      2  -0.237580D+01  0.200447D+01  0.141405D+01 -0.234557D+01  0.279059D+01
      3   0.146018D+02  0.127604D+01  0.368736D+01  0.607969D+01  0.685800D+01
      4  -0.633143D+00  0.532110D+00 -0.416048D+00 -0.353371D+01 -0.182273D+01
      5  -0.453309D+01  0.262920D+01 -0.238748D+01 -0.648605D+01  0.590353D+01
      6   0.236703D+00  0.872575D+00  0.146118D+01  0.759216D+01 -0.201742D+00
               116           117           118           119           120 
      1  -0.142184D+01 -0.305527D+02  0.821574D+02 -0.595588D+01 -0.863336D+01
      2  -0.148320D+01 -0.167835D+02 -0.459037D+02  0.346087D+01  0.818495D+01
      3   0.290504D+01  0.473362D+02 -0.362537D+02  0.249502D+01  0.448403D+00
      4  -0.476909D+01 -0.335276D+01 -0.163803D+01  0.106884D+02 -0.155558D-01
      5  -0.118161D+01 -0.336764D+02 -0.321680D+02  0.161311D+01  0.155304D+02
      6   0.660307D+01 -0.196051D+00  0.221434D+01 -0.364186D+01  0.396958D+00
               121           122           123           124           125 
      1  -0.133382D+02  0.626708D+01  0.802217D+00  0.329428D+00  0.261193D+00
      2   0.730951D+01 -0.114535D+01 -0.205145D+01  0.239309D+01 -0.531980D+00
      3   0.602869D+01 -0.512173D+01  0.124923D+01 -0.272252D+01  0.270788D+00
      4   0.105028D+02 -0.172145D+01 -0.936908D+00  0.102245D+01  0.562698D+00
      5   0.624887D+01 -0.223521D+01 -0.525173D+01  0.108987D+02 -0.167016D+01
      6  -0.320000D+01  0.626947D+00  0.121788D+01  0.151724D+00  0.763158D+00
               126           127           128           129           130 
      1   0.392822D+01 -0.522256D+01  0.898144D+01  0.898884D+00  0.764410D+01
      2  -0.528589D+01  0.708615D+01 -0.114464D+02 -0.760596D+00 -0.977133D+01
      3   0.135766D+01 -0.186359D+01  0.246495D+01 -0.138288D+00  0.212723D+01
      4  -0.166863D+01 -0.367554D+01  0.723936D+01  0.587623D+00  0.524394D+01
      5  -0.530663D+01 -0.340068D+00  0.617780D+00  0.142592D+01  0.501469D+00
      6   0.481098D+00  0.976184D+00 -0.126370D+01 -0.172436D+01 -0.122020D+01
               131           132           133           134           135 
      1  -0.343504D+02 -0.305861D+01  0.810207D+00 -0.304537D+01 -0.107088D+01
      2   0.472334D+02  0.297957D+01 -0.118878D+01  0.410695D+01  0.193226D+01
      3  -0.128831D+02  0.790450D-01  0.378576D+00 -0.106157D+01 -0.861380D+00
      4   0.122422D+01  0.258283D+00  0.467181D+00  0.114298D+00 -0.123782D+01
      5   0.285805D+00 -0.273850D+00  0.601885D+00 -0.626491D+00 -0.315150D+00
      6   0.523315D+01  0.670399D+01 -0.218897D+00  0.178705D+01  0.785557D+00
               136           137           138           139           140 
      1   0.223982D+02  0.140153D+02  0.127774D+01  0.959754D+01  0.393144D+01
      2  -0.405548D+01  0.106475D+01 -0.444348D+00  0.647295D+01  0.167923D+02
      3  -0.183427D+02 -0.150801D+02 -0.833390D+00 -0.160705D+02 -0.207237D+02
      4   0.334069D+02  0.305439D+02  0.226997D+01  0.343533D+02  0.442586D+02
      5   0.344863D+01  0.255660D+01  0.574624D+01  0.344459D+01  0.400144D+01
      6   0.150197D+01  0.134602D+01  0.292330D+01  0.223572D+01  0.312318D+01
               141           142           143           144           145 
      1   0.375415D+00  0.787311D+00  0.177849D+00 -0.988106D-01  0.977859D+02
      2   0.437760D+00  0.544042D+00  0.137821D+01  0.959707D+00 -0.546990D+02
      3  -0.813175D+00 -0.133135D+01 -0.155606D+01 -0.860897D+00 -0.430869D+02
      4   0.355782D+01  0.312219D+01  0.375463D+01  0.151491D+01 -0.161605D+02
      5   0.484562D+01  0.118008D+01  0.108401D+01  0.543767D+00 -0.186616D+01
      6   0.550044D+01  0.948085D+00  0.146940D+01  0.801127D+00 -0.106395D+01
               146           147           148           149           150 
      1  -0.997623D+01 -0.161267D+01 -0.953338D+01  0.976812D+01  0.858347D+00
      2   0.485758D+01  0.103239D+01  0.409059D+01 -0.433141D+01 -0.750137D+00
      3   0.511865D+01  0.580274D+00  0.544279D+01 -0.543671D+01 -0.108209D+00
      4   0.101862D+02  0.138022D+00  0.163959D+02 -0.521184D+01 -0.483541D+00
      5   0.538069D-01  0.953307D+01  0.166158D+01 -0.408175D+00 -0.120762D+01
      6   0.202609D-01 -0.890930D+00 -0.168441D+00 -0.855926D-01  0.176515D+01
               151           152           153           154           155 
      1  -0.157774D+01  0.925263D+00  0.175108D+01  0.498701D+01 -0.412672D+01
      2   0.789594D+00 -0.502173D+00 -0.840293D+00  0.393532D+01 -0.610349D+01
      3   0.788149D+00 -0.423089D+00 -0.910791D+00 -0.892233D+01  0.102302D+02
      4   0.175686D+01 -0.600316D+00 -0.327558D+00 -0.179026D+02  0.232604D+02
      5   0.383959D+00 -0.155775D+00 -0.314856D+00 -0.176673D+01  0.195105D+01
      6  -0.114747D-01  0.533743D+00  0.214784D+00  0.135445D+01 -0.151319D+01
               156           157           158           159           160 
      1  -0.486202D+00  0.103697D+01 -0.168048D+02 -0.163821D+01  0.717586D-01
      2  -0.235049D+00 -0.122868D+02  0.408508D+02  0.277723D+01 -0.113240D+01
      3   0.721251D+00  0.112499D+02 -0.240460D+02 -0.113901D+01  0.106064D+01
      4   0.212494D+01  0.244827D+02 -0.480355D+02 -0.456835D+01  0.256698D+01
      5   0.363976D+01  0.232231D+01 -0.423302D+01 -0.439367D+01  0.949406D+00
      6  -0.209526D+01 -0.236513D+01  0.582641D+01  0.720160D+01 -0.100671D+01
               161           162           163           164           165 
      1  -0.165727D+01 -0.105273D+01 -0.449850D+01 -0.669233D+01 -0.759402D+00
      2   0.391108D+01  0.194941D+01  0.625845D+01  0.960361D+01  0.646284D+00
      3  -0.225381D+01 -0.896684D+00 -0.175995D+01 -0.291128D+01  0.113118D+00
      4  -0.520365D+01 -0.137462D+01  0.845122D+01  0.833478D+01  0.476957D+00
      5  -0.671534D+00 -0.585058D+00  0.356545D+00  0.298984D+00  0.218246D+01
      6   0.192151D+01  0.117869D+01  0.718831D+00  0.125938D+01  0.186686D+01
               166           167           168           169           170 
      1  -0.813907D+01 -0.202291D+02 -0.207278D+01 -0.528319D+00 -0.166141D+01
      2   0.112463D+02  0.273765D+02  0.167804D+01  0.103189D+01  0.225455D+01
      3  -0.310727D+01 -0.714746D+01  0.394734D+00 -0.503571D+00 -0.593137D+00
      4   0.850109D+01  0.854969D+01  0.473536D+00  0.686699D+00  0.722470D+00
      5   0.407354D+00  0.482920D+00  0.175803D+01  0.707895D+00  0.542667D+00
      6   0.133002D+01  0.278897D+01  0.474005D+01  0.189495D+00  0.125412D+01
               171           172           173           174           175 
      1  -0.103669D+00  0.744695D+02 -0.218702D+01  0.114423D+02 -0.678869D+01
      2   0.879216D+00 -0.412901D+02  0.882992D+00 -0.897586D+01  0.153522D+01
      3  -0.775547D+00 -0.331794D+02  0.130403D+01 -0.246643D+01  0.525346D+01
      4   0.181588D+01 -0.415097D+01  0.814790D+01  0.684846D+00  0.715418D+01
      5   0.177717D+00  0.360061D+02  0.591987D+00  0.148740D+02 -0.147141D+00
      6   0.461566D+00 -0.815596D+00  0.263615D+01  0.425551D+00  0.641933D+00
               176           177           178           179           180 
      1   0.221326D+01  0.266831D+01  0.507853D+01  0.334158D+01  0.198698D+01
      2  -0.921788D+00 -0.131602D+01 -0.434974D+01 -0.824269D+00 -0.314823D+01
      3  -0.129147D+01 -0.135229D+01 -0.728794D+00 -0.251731D+01  0.116125D+01
      4  -0.188551D+01  0.214950D+01  0.317815D+01  0.144041D+01 -0.801013D+00
      5   0.254980D+01 -0.860342D+00  0.876427D+01  0.320811D+00  0.467278D+01
      6  -0.550852D+00  0.215085D+01  0.135292D+01  0.184593D+01 -0.469129D+00
 End of Minotr F.D. properties file   788 does not exist.
 Leave Link 1002 at Thu Aug 12 22:35:55 2021, MaxMem=  5368709120 cpu:           11257.8 elap:            1410.7
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l601.exe)
 Copying SCF densities to generalized density rwf, IOpCl= 0 IROHF=0.

 **********************************************************************

            Population analysis using the SCF density.

 **********************************************************************

 Orbital symmetries:
       Occupied  (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A)
       Virtual   (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A)
 The electronic state is 1-A.
 Alpha  occ. eigenvalues --  -14.43069 -10.32947 -10.30497 -10.30108 -10.30002
 Alpha  occ. eigenvalues --  -10.29937 -10.29894 -10.29747 -10.28750  -0.99763
 Alpha  occ. eigenvalues --   -0.95717  -0.86615  -0.84936  -0.81968  -0.73145
 Alpha  occ. eigenvalues --   -0.70335  -0.66867  -0.61354  -0.57949  -0.54738
 Alpha  occ. eigenvalues --   -0.53961  -0.52775  -0.50972  -0.49970  -0.49435
 Alpha  occ. eigenvalues --   -0.46831  -0.45280  -0.44138  -0.41772  -0.41247
 Alpha  occ. eigenvalues --   -0.33242  -0.32614  -0.32399
 Alpha virt. eigenvalues --    0.03506   0.04090   0.04394   0.05286   0.05390
 Alpha virt. eigenvalues --    0.05578   0.05704   0.05964   0.07189   0.07699
 Alpha virt. eigenvalues --    0.08237   0.08611   0.10497   0.11386   0.12107
 Alpha virt. eigenvalues --    0.13012   0.13331   0.13508   0.14199   0.14665
 Alpha virt. eigenvalues --    0.15038   0.15263   0.15475   0.15766   0.16231
 Alpha virt. eigenvalues --    0.17207   0.17295   0.17664   0.17960   0.18357
 Alpha virt. eigenvalues --    0.18754   0.18964   0.19990   0.20374   0.21057
 Alpha virt. eigenvalues --    0.21880   0.22279   0.23259   0.24240   0.24993
 Alpha virt. eigenvalues --    0.25152   0.25525   0.26275   0.27096   0.27582
 Alpha virt. eigenvalues --    0.28310   0.28719   0.29312   0.29957   0.30296
 Alpha virt. eigenvalues --    0.31086   0.31742   0.32356   0.32425   0.32688
 Alpha virt. eigenvalues --    0.33363   0.34018   0.34341   0.34911   0.36003
 Alpha virt. eigenvalues --    0.36826   0.37740   0.38304   0.38708   0.39775
 Alpha virt. eigenvalues --    0.40213   0.40488   0.41137   0.42066   0.42626
 Alpha virt. eigenvalues --    0.43317   0.43892   0.45542   0.46097   0.46393
 Alpha virt. eigenvalues --    0.47354   0.48793   0.48897   0.49924   0.50777
 Alpha virt. eigenvalues --    0.51426   0.52051   0.52682   0.53401   0.53863
 Alpha virt. eigenvalues --    0.54323   0.55414   0.55778   0.56866   0.57326
 Alpha virt. eigenvalues --    0.58195   0.58467   0.59924   0.60472   0.61300
 Alpha virt. eigenvalues --    0.62097   0.62849   0.63226   0.63698   0.64799
 Alpha virt. eigenvalues --    0.64895   0.65585   0.66428   0.66888   0.67422
 Alpha virt. eigenvalues --    0.67710   0.68077   0.68405   0.69311   0.71069
 Alpha virt. eigenvalues --    0.72115   0.72289   0.72733   0.73490   0.73791
 Alpha virt. eigenvalues --    0.74518   0.74691   0.74854   0.76153   0.76519
 Alpha virt. eigenvalues --    0.78091   0.78973   0.80001   0.81669   0.82308
 Alpha virt. eigenvalues --    0.83186   0.83538   0.83698   0.84777   0.85512
 Alpha virt. eigenvalues --    0.86392   0.86442   0.87784   0.88029   0.89361
 Alpha virt. eigenvalues --    0.89682   0.90897   0.91916   0.93312   0.93854
 Alpha virt. eigenvalues --    0.95470   0.96896   0.99132   1.00148   1.01631
 Alpha virt. eigenvalues --    1.02289   1.03181   1.05242   1.06417   1.07272
 Alpha virt. eigenvalues --    1.08459   1.09132   1.12414   1.13943   1.14516
 Alpha virt. eigenvalues --    1.16043   1.16832   1.19479   1.21045   1.22890
 Alpha virt. eigenvalues --    1.27132   1.29735   1.34982   1.35603   1.38562
 Alpha virt. eigenvalues --    1.40053   1.40829   1.42590   1.42943   1.44906
 Alpha virt. eigenvalues --    1.45201   1.45945   1.47547   1.48718   1.50454
 Alpha virt. eigenvalues --    1.50844   1.52405   1.53528   1.55455   1.56494
 Alpha virt. eigenvalues --    1.57948   1.59695   1.60400   1.62049   1.63062
 Alpha virt. eigenvalues --    1.63993   1.65339   1.66539   1.68585   1.69246
 Alpha virt. eigenvalues --    1.72535   1.73595   1.73974   1.76755   1.77019
 Alpha virt. eigenvalues --    1.78590   1.79123   1.80071   1.80824   1.82214
 Alpha virt. eigenvalues --    1.82909   1.84655   1.85565   1.86772   1.88887
 Alpha virt. eigenvalues --    1.90923   1.92800   1.94050   1.94468   1.95828
 Alpha virt. eigenvalues --    1.97115   1.98215   1.98363   2.01185   2.01673
 Alpha virt. eigenvalues --    2.06522   2.06891   2.07860   2.08398   2.10022
 Alpha virt. eigenvalues --    2.11322   2.12847   2.14743   2.15183   2.18126
 Alpha virt. eigenvalues --    2.19543   2.21198   2.21662   2.22126   2.24341
 Alpha virt. eigenvalues --    2.24852   2.25377   2.27577   2.30301   2.33533
 Alpha virt. eigenvalues --    2.34748   2.37476   2.38835   2.40418   2.44879
 Alpha virt. eigenvalues --    2.45557   2.48175   2.50079   2.52977   2.57043
 Alpha virt. eigenvalues --    2.58474   2.59816   2.62391   2.63365   2.64768
 Alpha virt. eigenvalues --    2.67225   2.71339   2.74321   2.75881   2.79222
 Alpha virt. eigenvalues --    2.82046   2.84389   2.85470   2.89420   2.91612
 Alpha virt. eigenvalues --    2.96485   3.01725   3.06391   3.08741   3.14772
 Alpha virt. eigenvalues --    3.18010   3.19900   3.34527   3.45670   3.53801
 Alpha virt. eigenvalues --    3.62942   3.77108   4.65883
          Condensed to atoms (all electrons):
               1          2          3          4          5          6
     1  C   13.619650  -5.890715   4.235209  -5.410501   4.647781  -4.999435
     2  C   -5.890715  19.390541  -7.643590   2.249389  -4.689179   4.125769
     3  C    4.235209  -7.643590  18.742219  -9.388006   3.733433  -4.911370
     4  C   -5.410501   2.249389  -9.388006  22.103618  -5.811316   4.877702
     5  C    4.647781  -4.689179   3.733433  -5.811316  13.195487  -5.035751
     6  C   -4.999435   4.125769  -4.911370   4.877702  -5.035751  11.938172
     7  C   -0.459188  -0.533659  -2.221707  -1.221421  -0.115452   0.137261
     8  N    0.048165  -0.009802   0.016666  -0.112030   0.012770  -0.019438
     9  C    0.278088  -0.552428   0.439176  -0.446699   0.165048  -0.144572
    10  H    0.014348   0.074961  -0.018103   0.024656  -0.008904   0.007931
    11  H   -0.045338   0.044416   0.463849   0.172581  -0.056399   0.033776
    12  H   -0.005085  -0.157747   0.072153   0.040057   0.023882  -0.021280
    13  H   -0.020387   0.019152  -0.266218   0.069974  -0.000626   0.006247
    14  H    0.027615  -0.007589   0.346636  -0.103244   0.005745  -0.006163
    15  H    0.170637  -0.154254   1.030485  -2.291352   0.530726  -0.259073
    16  H   -0.315192   0.174872  -0.280673   0.856084  -1.407440   0.591699
    17  H    0.664103  -0.160286   0.146931  -0.235327   0.631571  -1.364247
    18  H   -1.507012   1.026020  -0.365287   0.214103  -0.348287   0.610628
    19  H    0.703544  -2.152753   0.292419  -0.240934   0.129689  -0.160987
    20  H   -0.000765  -0.033501   0.152296  -0.000387   0.001849  -0.000267
               7          8          9         10         11         12
     1  C   -0.459188   0.048165   0.278088   0.014348  -0.045338  -0.005085
     2  C   -0.533659  -0.009802  -0.552428   0.074961   0.044416  -0.157747
     3  C   -2.221707   0.016666   0.439176  -0.018103   0.463849   0.072153
     4  C   -1.221421  -0.112030  -0.446699   0.024656   0.172581   0.040057
     5  C   -0.115452   0.012770   0.165048  -0.008904  -0.056399   0.023882
     6  C    0.137261  -0.019438  -0.144572   0.007931   0.033776  -0.021280
     7  C   12.025706  -0.100188  -0.042532  -0.324560  -1.511458  -0.240383
     8  N   -0.100188   6.599726  -0.027602   0.370835   0.025896   0.031427
     9  C   -0.042532  -0.027602   4.567187   0.035169   0.163766   0.468247
    10  H   -0.324560   0.370835   0.035169   0.895762   0.055754   0.038058
    11  H   -1.511458   0.025896   0.163766   0.055754   2.317544   0.088935
    12  H   -0.240383   0.031427   0.468247   0.038058   0.088935   1.447566
    13  H    0.195113  -0.016622   0.135345   0.001998  -0.058000  -0.118102
    14  H   -0.079923  -0.025376   0.135566  -0.011482  -0.008727  -0.394021
    15  H    0.186700   0.026813   0.037994   0.010355  -0.119230   0.005167
    16  H    0.022940   0.000113   0.004377  -0.000696  -0.000999  -0.000284
    17  H   -0.013554  -0.000639  -0.001004   0.000788   0.001514  -0.000109
    18  H    0.020023  -0.000392  -0.001463  -0.001681   0.001970   0.003284
    19  H    0.334996  -0.053561   0.034912  -0.049773  -0.009045  -0.100440
    20  H   -0.093871   0.299727  -0.065614  -0.084857  -0.013132  -0.006647
              13         14         15         16         17         18
     1  C   -0.020387   0.027615   0.170637  -0.315192   0.664103  -1.507012
     2  C    0.019152  -0.007589  -0.154254   0.174872  -0.160286   1.026020
     3  C   -0.266218   0.346636   1.030485  -0.280673   0.146931  -0.365287
     4  C    0.069974  -0.103244  -2.291352   0.856084  -0.235327   0.214103
     5  C   -0.000626   0.005745   0.530726  -1.407440   0.631571  -0.348287
     6  C    0.006247  -0.006163  -0.259073   0.591699  -1.364247   0.610628
     7  C    0.195113  -0.079923   0.186700   0.022940  -0.013554   0.020023
     8  N   -0.016622  -0.025376   0.026813   0.000113  -0.000639  -0.000392
     9  C    0.135345   0.135566   0.037994   0.004377  -0.001004  -0.001463
    10  H    0.001998  -0.011482   0.010355  -0.000696   0.000788  -0.001681
    11  H   -0.058000  -0.008727  -0.119230  -0.000999   0.001514   0.001970
    12  H   -0.118102  -0.394021   0.005167  -0.000284  -0.000109   0.003284
    13  H    1.546375  -0.302925   0.011787  -0.001175   0.000146  -0.001437
    14  H   -0.302925   1.638592  -0.004628   0.000940  -0.000001   0.000339
    15  H    0.011787  -0.004628   2.912461  -0.160250  -0.026031   0.016235
    16  H   -0.001175   0.000940  -0.160250   2.250061  -0.104654  -0.027444
    17  H    0.000146  -0.000001  -0.026031  -0.104654   2.213993  -0.109355
    18  H   -0.001437   0.000339   0.016235  -0.027444  -0.109355   2.316971
    19  H   -0.015582   0.016328  -0.047782   0.015622  -0.023872  -0.207639
    20  H    0.003981  -0.009293  -0.001110   0.000177  -0.000139  -0.000061
              19         20
     1  C    0.703544  -0.000765
     2  C   -2.152753  -0.033501
     3  C    0.292419   0.152296
     4  C   -0.240934  -0.000387
     5  C    0.129689   0.001849
     6  C   -0.160987  -0.000267
     7  C    0.334996  -0.093871
     8  N   -0.053561   0.299727
     9  C    0.034912  -0.065614
    10  H   -0.049773  -0.084857
    11  H   -0.009045  -0.013132
    12  H   -0.100440  -0.006647
    13  H   -0.015582   0.003981
    14  H    0.016328  -0.009293
    15  H   -0.047782  -0.001110
    16  H    0.015622   0.000177
    17  H   -0.023872  -0.000139
    18  H   -0.207639  -0.000061
    19  H    3.499965   0.005253
    20  H    0.005253   0.938445
 Mulliken charges:
               1
     1  C    0.244476
     2  C    0.880382
     3  C    1.423481
     4  C    0.653053
     5  C    0.395373
     6  C    0.593397
     7  C    0.035156
     8  N   -0.066490
     9  C    0.817039
    10  H   -0.030560
    11  H   -0.547674
    12  H   -0.174678
    13  H   -0.189042
    14  H   -0.218389
    15  H   -0.875651
    16  H   -0.618079
    17  H   -0.619831
    18  H   -0.639516
    19  H   -0.970362
    20  H   -0.092085
 Sum of Mulliken charges =   0.00000
 Mulliken charges with hydrogens summed into heavy atoms:
               1
     1  C   -0.395039
     2  C   -0.089980
     3  C    1.423481
     4  C   -0.222598
     5  C   -0.222706
     6  C   -0.026434
     7  C   -0.512519
     8  N   -0.189135
     9  C    0.234930
 Electronic spatial extent (au):  <R**2>=           1289.9254
 Charge=              0.0000 electrons
 Dipole moment (field-independent basis, Debye):
    X=              0.6339    Y=              0.7720    Z=             -0.8337  Tot=              1.3011
 Quadrupole moment (field-independent basis, Debye-Ang):
   XX=            -47.8600   YY=            -51.2256   ZZ=            -60.7822
   XY=              1.2037   XZ=             -0.7944   YZ=              3.3517
 Traceless Quadrupole moment (field-independent basis, Debye-Ang):
   XX=              5.4292   YY=              2.0637   ZZ=             -7.4929
   XY=              1.2037   XZ=             -0.7944   YZ=              3.3517
 Octapole moment (field-independent basis, Debye-Ang**2):
  XXX=              9.5383  YYY=              0.2493  ZZZ=             -3.0233  XYY=             -2.5483
  XXY=             -0.0923  XXZ=              3.6238  XZZ=              5.0468  YZZ=              4.6544
  YYZ=              0.4643  XYZ=              3.7129
 Hexadecapole moment (field-independent basis, Debye-Ang**3):
 XXXX=          -1088.1863 YYYY=           -321.9486 ZZZZ=           -229.3840 XXXY=             -7.6388
 XXXZ=             23.5698 YYYX=              0.4454 YYYZ=              8.0202 ZZZX=             -1.3030
 ZZZY=             11.1507 XXYY=           -248.8686 XXZZ=           -254.8978 YYZZ=           -102.8216
 XXYZ=             11.0586 YYXZ=              0.6726 ZZXY=              8.5418
 N-N= 4.252357736391D+02 E-N=-1.699572484788D+03  KE= 3.638961945062D+02
 No NMR shielding tensors so no spin-rotation constants.
 Leave Link  601 at Thu Aug 12 22:35:56 2021, MaxMem=  5368709120 cpu:               1.9 elap:               0.3
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l716.exe)
 Electric field and nuclear coordinate derivatives read from checkpoint file.
 Rotating derivatives to standard orientation.
 Dipole        = 2.45672457D-01 3.06186424D-01-2.90782300D-01
 Polarizability= 1.26026985D+02 2.33992042D-01 1.00324600D+02
                -4.75344164D-01 3.14264573D+00 7.08488249D+01
 Translational dAlpha, IFr= 1:
                x                       y                       z
         lhs       rhs           lhs       rhs           lhs       rhs
 1      0.0000    0.0000        0.0000    0.0000        0.0000    0.0000
 2     -0.0000    0.0000        0.0000    0.0000        0.0000    0.0000
 3      0.0000    0.0000        0.0000    0.0000        0.0000    0.0000
 4      0.0000    0.0000       -0.0000    0.0000       -0.0000    0.0000
 5      0.0000    0.0000       -0.0000    0.0000        0.0000    0.0000
 6      0.0000    0.0000       -0.0000    0.0000        0.0000    0.0000
 Translational dG, IFr= 1:
                x                       y                       z
         lhs       rhs           lhs       rhs           lhs       rhs
 1     -0.0000    0.0000        0.3504    0.3508        0.4243    0.4244
 2     -0.3504   -0.3508       -1.1548   -1.1551      -13.0818  -13.0798
 3     -0.4243   -0.4244       27.5868   27.5865        1.1535    1.1551
 4      1.1548    1.1551       -0.0000    0.0000       -0.4229   -0.4244
 5    -14.5049  -14.5067        0.4229    0.4244        0.3493    0.3508
 6     -1.1535   -1.1551       -0.3493   -0.3508       -0.0000    0.0000
 Translational dA, IFr= 1:
                x                       y                       z
         lhs       rhs           lhs       rhs           lhs       rhs
 1      0.0000    0.0000       -1.0525   -1.0525        1.2731    1.2731
 2      3.4652    3.4652        0.0000    0.0000        1.2731    1.2731
 3      3.4652    3.4652       -1.0525   -1.0525        0.0000    0.0000
 4     -1.0525   -1.0525       -3.4652   -3.4652      -39.2394  -39.2394
 5     -1.2731   -1.2731       82.7596   82.7596        3.4652    3.4652
 6    -43.5202  -43.5202        1.2731    1.2731        1.0525    1.0525
 Rotational dAlpha, IFr= 1:
                x                       y                       z
         lhs       rhs           lhs       rhs           lhs       rhs
 1     -0.0322    0.0000       -1.7139   -1.4033       -1.4722   -1.6975
 2      1.0358    1.4033        4.6568    4.6202       52.2927   52.3191
 3      1.6161    1.6975     -110.2804 -110.3461       -4.6402   -4.6202
 4     -4.4818   -4.6202        0.1518    0.0000        1.9138    1.6975
 5     58.0395   58.0270       -1.7089   -1.6975       -1.4167   -1.4033
 6      4.5924    4.6202        1.3583    1.4033       -0.0306    0.0000
 Rotational dG, IFr= 1:
                x                       y                       z
         lhs       rhs           lhs       rhs           lhs       rhs
 1     -0.0171    0.0000       -5.9424   -5.9083       -0.4737   -0.4420
 2      5.6955    5.9083       53.0708   53.2552       18.1229   18.1475
 3     -0.0174    0.4420       10.8930   11.2727      -53.1575  -53.2552
 4    -53.2614  -53.2552       -0.1431    0.0000        0.3159    0.4420
 5    -28.8099  -29.4201       -0.2963   -0.4420       -6.0358   -5.9083
 6     53.3475   53.2552        6.0797    5.9083        0.2333    0.0000
 Rotational dA, IFr= 1:
                x                       y                       z
         lhs       rhs           lhs       rhs           lhs       rhs
 1    -35.5496  -35.5999       -7.2801   -7.2511       -3.0719   -3.1764
 2   -122.7833 -122.7944       -7.8155   -7.5432       -3.2093   -3.1764
 3   -122.7228 -122.7944       -7.4740   -7.2511       -1.0247   -0.9080
 4      0.3313    0.2920       86.8469   87.1946       25.1510   25.3321
 5      1.8180    2.2684       20.9845   21.4405      -87.1182  -87.1946
 6    -45.8149  -46.7726       -1.8167   -2.2684       -0.6302   -0.2920
 Full mass-weighted force constant matrix:
 Low frequencies ---   -6.6227   -0.0005   -0.0004    0.0002    0.7916    7.0459
 Low frequencies ---   27.7893  128.7779  196.2761
 Diagonal vibrational polarizability:
       23.8111759      14.5190299      34.1253698
 Harmonic frequencies (cm**-1), IR intensities (KM/Mole), Raman scattering
 activities (A**4/AMU), depolarization ratios for plane and unpolarized
 incident light, reduced masses (AMU), force constants (mDyne/A),
 Raman invariants Alpha2 = alpha**2, Beta2 = beta(alpha)**2 (A**4/AMU)
 ROA invariants AlphaG = alphaG', Gamma2 = beta(G')**2, Delta2 = beta(A)**2, (10**4 A**5/AMU)
 Far-From-Resonance Raman intensities (K), ROA intensites (10**4 K), CID=(ROA/Raman)*10**4
    Raman1;ROA1;CID1 =ICPu/SCPu(180), Raman2;ROA2;CID2 =ICPd/SCPd(90)
    Raman3;ROA3;CID3 =DCPI(180) RC180 = degree of circularity
 and normal coordinates:
 Incident light (cm**-1):   18796.99
                      1                      2                      3
                      A                      A                      A
 Frequencies --     27.7771               128.7775               196.2758
 Red. masses --      3.3013                 3.4381                 1.2637
 Frc consts  --      0.0015                 0.0336                 0.0287
 IR Inten    --      0.7435                 0.9047                30.2202
 RamAct Fr= 1--      3.8404                 4.4989                 0.5876
  Dep-P Fr= 1--      0.7496                 0.7500                 0.4379
  Dep-U Fr= 1--      0.8569                 0.8571                 0.6091
 Alpha2 Fr= 1--      0.0000                 0.0000                 0.0038
 Beta2  Fr= 1--      0.5484                 0.6427                 0.0597
 AlphaG Fr= 1--      0.0001                 0.0000                 0.0153
 Gamma2 Fr= 1--      0.5641                 0.0623                 0.2620
 Delta2 Fr= 1--      0.3409                 0.0110                 0.1491
 Raman1 Fr= 1--      15.361                 17.996                  2.350
 ROA1   Fr= 1--      65.064                  6.330                 29.920
 CID1   Fr= 1--       4.236                  0.352                 12.729
 Raman2 Fr= 1--       6.581                  7.712                  0.716
 ROA2   Fr= 1--      10.812                  1.407                  5.094
 CID2   Fr= 1--       1.643                  0.182                  7.116
 Raman3 Fr= 1--      13.163                 15.425                  1.432
 ROA3   Fr= 1--      65.064                  6.330                 29.920
 CID3   Fr= 1--       4.943                  0.410                 20.898
 RC180  Fr= 1--       0.714                  0.714                  0.218
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.01  -0.01   0.13    -0.01   0.01  -0.10     0.06   0.01  -0.01
     2   6     0.01  -0.03   0.18    -0.01  -0.00   0.10     0.05  -0.05   0.01
     3   6     0.00  -0.02   0.06    -0.00  -0.01   0.18     0.01  -0.06   0.00
     4   6    -0.01   0.00  -0.11    -0.00  -0.01   0.15    -0.02  -0.04   0.01
     5   6    -0.01   0.02  -0.17    -0.00   0.01  -0.04    -0.02   0.02   0.01
     6   6     0.00   0.01  -0.05    -0.01   0.02  -0.21     0.03   0.04  -0.01
     7   6    -0.00  -0.02   0.07    -0.00  -0.00   0.03     0.01  -0.02  -0.01
     8   7     0.05   0.22   0.01     0.21  -0.09  -0.04    -0.01   0.02  -0.01
     9   6    -0.06  -0.18  -0.10    -0.18   0.08  -0.02    -0.05   0.05   0.00
    10   1     0.07   0.27  -0.13     0.29  -0.10   0.05    -0.59  -0.23   0.23
    11   1     0.00  -0.05   0.24    -0.02   0.01  -0.06     0.06  -0.01  -0.04
    12   1    -0.11  -0.16  -0.28    -0.11   0.06   0.10    -0.15   0.03   0.00
    13   1    -0.09  -0.38  -0.04    -0.38   0.19   0.04    -0.02   0.00  -0.00
    14   1    -0.05  -0.14  -0.09    -0.19   0.05  -0.25    -0.03   0.14   0.01
    15   1    -0.02   0.01  -0.21    -0.00  -0.01   0.23    -0.05  -0.05   0.02
    16   1    -0.01   0.04  -0.30    -0.00   0.01  -0.09    -0.05   0.04   0.01
    17   1     0.00   0.02  -0.09    -0.01   0.04  -0.40     0.03   0.07  -0.02
    18   1     0.02  -0.02   0.22    -0.01   0.02  -0.20     0.10   0.02  -0.01
    19   1     0.02  -0.04   0.31    -0.01  -0.00   0.14     0.08  -0.07   0.00
    20   1     0.05   0.22  -0.02     0.20  -0.13  -0.20     0.01   0.65  -0.08
                      4                      5                      6
                      A                      A                      A
 Frequencies --    240.4039               260.2512               322.2466
 Red. masses --      1.7537                 1.1757                 3.0821
 Frc consts  --      0.0597                 0.0469                 0.1886
 IR Inten    --     16.0102                 1.2512                 2.6252
 RamAct Fr= 1--      0.2310                 0.1838                 1.9208
  Dep-P Fr= 1--      0.2632                 0.3548                 0.3137
  Dep-U Fr= 1--      0.4168                 0.5238                 0.4776
 Alpha2 Fr= 1--      0.0026                 0.0016                 0.0189
 Beta2  Fr= 1--      0.0160                 0.0160                 0.1529
 AlphaG Fr= 1--     -0.0096                -0.0017                -0.0083
 Gamma2 Fr= 1--     -0.1412                -0.0232                -0.3064
 Delta2 Fr= 1--     -0.0489                 0.1024                 0.0096
 Raman1 Fr= 1--       0.924                  0.735                  7.683
 ROA1   Fr= 1--     -15.123                  1.050                -29.112
 CID1   Fr= 1--     -16.370                  1.428                 -3.789
 Raman2 Fr= 1--       0.193                  0.193                  1.835
 ROA2   Fr= 1--      -2.999                 -1.375                 -7.431
 CID2   Fr= 1--     -15.579                 -7.144                 -4.050
 Raman3 Fr= 1--       0.385                  0.385                  3.669
 ROA3   Fr= 1--     -15.123                  1.050                -29.112
 CID3   Fr= 1--     -39.278                  2.727                 -7.934
 RC180  Fr= 1--      -0.166                  0.048                 -0.045
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.09  -0.00   0.01     0.04  -0.00  -0.00    -0.04  -0.02   0.01
     2   6    -0.07   0.08   0.03     0.03  -0.03  -0.02    -0.05  -0.09   0.02
     3   6    -0.00   0.10   0.02    -0.00  -0.04  -0.01    -0.04  -0.09  -0.01
     4   6     0.04   0.07   0.01    -0.01  -0.03  -0.03    -0.13  -0.04   0.02
     5   6     0.03  -0.02  -0.01    -0.01   0.00  -0.01    -0.14   0.02   0.01
     6   6    -0.04  -0.04  -0.01     0.02   0.01   0.02    -0.11   0.04  -0.02
     7   6    -0.01   0.01  -0.01    -0.00  -0.01   0.01     0.03  -0.01  -0.04
     8   7     0.06  -0.06  -0.02    -0.03   0.06   0.01     0.17   0.10  -0.10
     9   6     0.09  -0.10  -0.02    -0.02   0.02   0.02     0.20   0.04   0.11
    10   1    -0.36  -0.27   0.24     0.03   0.11  -0.08     0.18   0.13  -0.17
    11   1    -0.13  -0.00  -0.03     0.04  -0.01   0.04     0.07  -0.01  -0.02
    12   1     0.41  -0.08   0.06     0.42   0.00   0.36     0.22   0.03   0.22
    13   1    -0.05   0.06   0.01    -0.40   0.45   0.08     0.44   0.18  -0.02
    14   1     0.03  -0.40  -0.13    -0.11  -0.36  -0.36     0.20  -0.00   0.35
    15   1     0.09   0.09   0.01    -0.03  -0.04  -0.04    -0.21  -0.08   0.02
    16   1     0.08  -0.06  -0.02    -0.03   0.02  -0.00    -0.16   0.04   0.01
    17   1    -0.05  -0.10  -0.03     0.02   0.03   0.05    -0.10   0.09  -0.05
    18   1    -0.15  -0.02   0.01     0.05   0.00   0.00     0.03   0.01   0.01
    19   1    -0.11   0.11   0.03     0.05  -0.05  -0.04    -0.03  -0.10   0.03
    20   1     0.08   0.42  -0.15    -0.03  -0.00   0.04     0.17   0.18  -0.28
                      7                      8                      9
                      A                      A                      A
 Frequencies --    331.5455               414.2349               481.9304
 Red. masses --      3.6202                 2.9440                 2.7876
 Frc consts  --      0.2345                 0.2976                 0.3815
 IR Inten    --      3.9809                 0.0017                 5.5562
 RamAct Fr= 1--      0.1238                 0.0347                 5.7767
  Dep-P Fr= 1--      0.4080                 0.4486                 0.0459
  Dep-U Fr= 1--      0.5795                 0.6193                 0.0878
 Alpha2 Fr= 1--      0.0009                 0.0002                 0.1152
 Beta2  Fr= 1--      0.0120                 0.0036                 0.0845
 AlphaG Fr= 1--      0.0022                 0.0028                 0.0390
 Gamma2 Fr= 1--     -0.0065                 0.1263                 0.1282
 Delta2 Fr= 1--     -0.0562                 0.0062                 0.1579
 Raman1 Fr= 1--       0.495                  0.139                 23.107
 ROA1   Fr= 1--      -2.424                 12.325                 17.362
 CID1   Fr= 1--      -4.896                 88.797                  0.751
 Raman2 Fr= 1--       0.143                  0.043                  1.014
 ROA2   Fr= 1--       0.293                  2.982                  1.813
 CID2   Fr= 1--       2.041                 69.371                  1.788
 Raman3 Fr= 1--       0.287                  0.086                  2.029
 ROA3   Fr= 1--      -2.424                 12.325                 17.362
 CID3   Fr= 1--      -8.449                143.375                  8.558
 RC180  Fr= 1--       0.159                  0.239                 -0.824
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.03   0.01  -0.08    -0.00   0.02  -0.21     0.04   0.03   0.00
     2   6    -0.03   0.02  -0.19     0.00  -0.02   0.21     0.04   0.09   0.00
     3   6    -0.00   0.00   0.01     0.00   0.00   0.00    -0.05   0.06   0.00
     4   6    -0.02   0.03  -0.19     0.00   0.02  -0.21     0.05   0.01   0.00
     5   6    -0.02   0.02  -0.06     0.00  -0.02   0.21     0.08  -0.05  -0.01
     6   6    -0.03  -0.01   0.19     0.00  -0.00  -0.00     0.11  -0.04  -0.00
     7   6     0.02  -0.03   0.14    -0.00  -0.00  -0.00    -0.16  -0.13  -0.03
     8   7     0.23  -0.03   0.08    -0.01   0.00  -0.00    -0.02   0.05  -0.15
     9   6    -0.12  -0.02   0.09     0.00  -0.00  -0.00    -0.09  -0.06   0.19
    10   1     0.14  -0.09   0.20     0.01   0.01  -0.01     0.03   0.14  -0.34
    11   1    -0.00  -0.03   0.14    -0.01  -0.00   0.00    -0.25  -0.15   0.01
    12   1    -0.25  -0.02   0.04     0.00  -0.00   0.01    -0.18  -0.10   0.42
    13   1    -0.16  -0.12   0.13     0.00   0.01  -0.00     0.14   0.15   0.05
    14   1    -0.09   0.12   0.02     0.00  -0.01  -0.00    -0.07   0.02   0.39
    15   1    -0.03   0.04  -0.32     0.00   0.04  -0.45     0.16   0.05   0.01
    16   1    -0.02   0.01  -0.08     0.01  -0.05   0.46     0.07  -0.04  -0.01
    17   1    -0.03  -0.04   0.45     0.00  -0.00   0.00     0.11  -0.06  -0.00
    18   1    -0.03   0.02  -0.13    -0.00   0.04  -0.44    -0.05  -0.01   0.01
    19   1    -0.04   0.04  -0.31     0.00  -0.04   0.46     0.05   0.08   0.00
    20   1     0.23   0.17  -0.17    -0.01  -0.00  -0.00    -0.01   0.14  -0.35
                     10                     11                     12
                      A                      A                      A
 Frequencies --    548.4757               594.3537               639.0507
 Red. masses --      2.9941                 3.0286                 6.3607
 Frc consts  --      0.5307                 0.6304                 1.5305
 IR Inten    --      6.2497                 4.2564                 0.0358
 RamAct Fr= 1--      0.3798                 1.7174                 4.4369
  Dep-P Fr= 1--      0.7204                 0.7471                 0.7275
  Dep-U Fr= 1--      0.8375                 0.8552                 0.8423
 Alpha2 Fr= 1--      0.0002                 0.0001                 0.0017
 Beta2  Fr= 1--      0.0530                 0.2448                 0.6229
 AlphaG Fr= 1--     -0.0004                -0.0003                 0.0009
 Gamma2 Fr= 1--     -0.2450                 0.2798                 0.0315
 Delta2 Fr= 1--     -0.0775                 0.0284                 0.0055
 Raman1 Fr= 1--       1.519                  6.870                 17.748
 ROA1   Fr= 1--     -25.998                 27.772                  3.203
 CID1   Fr= 1--     -17.112                  4.043                  0.180
 Raman2 Fr= 1--       0.636                  2.938                  7.474
 ROA2   Fr= 1--      -5.260                  6.489                  0.712
 CID2   Fr= 1--      -8.268                  2.209                  0.095
 Raman3 Fr= 1--       1.272                  5.875                 14.949
 ROA3   Fr= 1--     -25.998                 27.772                  3.203
 CID3   Fr= 1--     -20.432                  4.727                  0.214
 RC180  Fr= 1--       0.675                  0.710                  0.685
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.03   0.03  -0.12     0.06   0.07   0.05    -0.22   0.27   0.03
     2   6     0.01  -0.01   0.05     0.01   0.02  -0.03    -0.27  -0.17  -0.01
     3   6    -0.05  -0.04   0.26    -0.15  -0.01  -0.07    -0.01  -0.14  -0.01
     4   6    -0.01  -0.06   0.05    -0.03  -0.15  -0.05     0.21  -0.22  -0.02
     5   6     0.00  -0.01  -0.13    -0.01  -0.09   0.04     0.29   0.21   0.02
     6   6     0.06  -0.02   0.18     0.15   0.01  -0.07     0.01   0.14   0.01
     7   6    -0.06   0.08  -0.04    -0.16   0.21   0.06     0.01  -0.03  -0.01
     8   7    -0.07  -0.00  -0.06     0.07  -0.02   0.04    -0.01  -0.01  -0.02
     9   6     0.06   0.03  -0.05     0.00   0.01  -0.00    -0.01  -0.03   0.02
    10   1    -0.05  -0.02   0.01     0.19  -0.10   0.36    -0.02   0.01  -0.07
    11   1    -0.06   0.09  -0.11    -0.13   0.23   0.00     0.04  -0.03  -0.00
    12   1     0.20   0.06  -0.16     0.27   0.09  -0.31    -0.03  -0.04   0.07
    13   1     0.20  -0.01  -0.10     0.07  -0.18   0.01    -0.01   0.01   0.02
    14   1     0.03  -0.13   0.13    -0.06  -0.29   0.15    -0.01  -0.01   0.02
    15   1     0.01  -0.02  -0.25     0.05  -0.13   0.05     0.05  -0.28  -0.04
    16   1    -0.04   0.05  -0.47    -0.15   0.01   0.19     0.17   0.30   0.02
    17   1     0.06  -0.01   0.19     0.15   0.02  -0.05    -0.06  -0.29  -0.03
    18   1     0.01   0.06  -0.47    -0.00   0.03   0.19    -0.06   0.33   0.03
    19   1     0.06  -0.02  -0.26     0.16  -0.11   0.06    -0.15  -0.26  -0.03
    20   1    -0.07  -0.09   0.02     0.06  -0.05  -0.26    -0.01   0.00  -0.02
                     13                     14                     15
                      A                      A                      A
 Frequencies --    712.0918               766.1778               781.6127
 Red. masses --      1.6830                 3.4287                 2.0695
 Frc consts  --      0.5028                 1.1859                 0.7449
 IR Inten    --     40.7430                11.9375                42.2097
 RamAct Fr= 1--      0.0475                14.5389                 2.6562
  Dep-P Fr= 1--      0.6254                 0.0202                 0.2138
  Dep-U Fr= 1--      0.7695                 0.0396                 0.3523
 Alpha2 Fr= 1--      0.0001                 0.3082                 0.0348
 Beta2  Fr= 1--      0.0061                 0.0960                 0.1560
 AlphaG Fr= 1--     -0.0002                 0.0313                -0.0134
 Gamma2 Fr= 1--     -0.0348                -0.7333                -0.3901
 Delta2 Fr= 1--      0.0015                -0.3626                -0.2088
 Raman1 Fr= 1--       0.190                 58.156                 10.625
 ROA1   Fr= 1--      -3.291                -81.999                -44.130
 CID1   Fr= 1--     -17.325                 -1.410                 -4.153
 Raman2 Fr= 1--       0.073                  1.152                  1.872
 ROA2   Fr= 1--      -0.847                -14.698                 -7.691
 CID2   Fr= 1--     -11.595                -12.760                 -4.110
 Raman3 Fr= 1--       0.146                  2.304                  3.743
 ROA3   Fr= 1--      -3.291                -81.999                -44.130
 CID3   Fr= 1--     -22.514                -35.595                -11.790
 RC180  Fr= 1--       0.539                 -0.921                 -0.295
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.00   0.02  -0.14    -0.07   0.18   0.02    -0.01   0.03   0.02
     2   6    -0.00  -0.00   0.06    -0.04   0.16   0.05    -0.01   0.04  -0.09
     3   6    -0.01   0.01  -0.09    -0.10   0.02  -0.06    -0.02  -0.02   0.22
     4   6    -0.00  -0.01   0.07    -0.07  -0.12   0.02    -0.01  -0.01  -0.08
     5   6    -0.00   0.01  -0.14    -0.08  -0.14  -0.02    -0.01  -0.03   0.01
     6   6     0.01  -0.01   0.07     0.15  -0.03   0.04     0.03   0.01  -0.13
     7   6    -0.00   0.00   0.00     0.11  -0.15  -0.02     0.03  -0.05  -0.00
     8   7     0.00  -0.00   0.01     0.04  -0.00   0.11    -0.02   0.01  -0.03
     9   6     0.00   0.00  -0.00     0.08   0.02  -0.09     0.03   0.02  -0.05
    10   1     0.02   0.00   0.01    -0.02   0.10  -0.19    -0.09  -0.01  -0.05
    11   1     0.00   0.00   0.01     0.09  -0.17   0.07     0.01  -0.05  -0.01
    12   1    -0.01  -0.00   0.00    -0.19  -0.04   0.15    -0.00   0.00   0.04
    13   1    -0.01   0.00   0.00    -0.03   0.18  -0.08     0.08   0.09  -0.08
    14   1     0.00   0.00  -0.02     0.14   0.33  -0.29     0.04   0.06  -0.01
    15   1     0.00  -0.05   0.51     0.04  -0.07  -0.04     0.00  -0.01  -0.01
    16   1    -0.01  -0.02   0.21    -0.26   0.01  -0.20    -0.04  -0.05   0.51
    17   1     0.01  -0.06   0.56     0.14  -0.03  -0.21     0.03  -0.07   0.55
    18   1    -0.00  -0.02   0.23    -0.30   0.11  -0.18    -0.06  -0.03   0.51
    19   1     0.01  -0.05   0.51     0.03   0.12  -0.02     0.01   0.03  -0.00
    20   1     0.01   0.01  -0.03     0.06   0.13   0.17    -0.02  -0.04   0.17
                     16                     17                     18
                      A                      A                      A
 Frequencies --    840.7909               852.8598               912.8879
 Red. masses --      1.5944                 1.2498                 1.6280
 Frc consts  --      0.6641                 0.5356                 0.7993
 IR Inten    --    133.9720                 0.1428                10.2342
 RamAct Fr= 1--      1.6406                 2.0078                 4.3336
  Dep-P Fr= 1--      0.3095                 0.7210                 0.5912
  Dep-U Fr= 1--      0.4727                 0.8379                 0.7431
 Alpha2 Fr= 1--      0.0164                 0.0010                 0.0128
 Beta2  Fr= 1--      0.1293                 0.2804                 0.5367
 AlphaG Fr= 1--      0.0116                -0.0008                 0.0268
 Gamma2 Fr= 1--     -0.6247                 0.0888                 2.8839
 Delta2 Fr= 1--     -0.5114                -0.0096                 1.5169
 Raman1 Fr= 1--       6.562                  8.031                 17.334
 ROA1   Fr= 1--     -76.335                  8.217                325.390
 CID1   Fr= 1--     -11.632                  1.023                 18.771
 Raman2 Fr= 1--       1.551                  3.365                  6.441
 ROA2   Fr= 1--     -10.901                  2.208                 57.078
 CID2   Fr= 1--      -7.028                  0.656                  8.862
 Raman3 Fr= 1--       3.102                  6.730                 12.882
 ROA3   Fr= 1--     -76.335                  8.217                325.390
 CID3   Fr= 1--     -24.606                  1.221                 25.260
 RC180  Fr= 1--      -0.055                  0.676                  0.486
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.01  -0.03  -0.00     0.00   0.01  -0.07    -0.02   0.04  -0.00
     2   6     0.00  -0.02  -0.00    -0.00   0.01  -0.08    -0.00   0.02   0.04
     3   6    -0.00  -0.00   0.03     0.00   0.00   0.00     0.03  -0.00  -0.01
     4   6     0.01   0.02  -0.00     0.00  -0.01   0.08    -0.01  -0.03   0.03
     5   6     0.03   0.03   0.00     0.00  -0.01   0.07    -0.04  -0.04  -0.00
     6   6    -0.02   0.00  -0.02     0.00  -0.00   0.00     0.01   0.00  -0.04
     7   6    -0.07  -0.02  -0.03    -0.00   0.00  -0.00     0.11   0.06  -0.00
     8   7    -0.03  -0.07   0.16    -0.00  -0.00   0.00    -0.04  -0.04  -0.07
     9   6     0.02   0.05  -0.06     0.00  -0.00  -0.00    -0.00  -0.01   0.14
    10   1     0.21   0.28  -0.54     0.01   0.00   0.00    -0.00   0.08  -0.34
    11   1    -0.06  -0.01  -0.07    -0.01  -0.00   0.01     0.20   0.11  -0.21
    12   1     0.07   0.06  -0.13    -0.01  -0.00   0.01     0.03   0.06  -0.27
    13   1     0.06   0.03  -0.07     0.00   0.01  -0.00    -0.33  -0.42   0.37
    14   1     0.02  -0.01  -0.03     0.00  -0.00  -0.01    -0.03  -0.11  -0.17
    15   1     0.01   0.02  -0.02    -0.00   0.05  -0.51    -0.01  -0.01  -0.20
    16   1     0.06  -0.00   0.05    -0.00   0.05  -0.47    -0.08  -0.01  -0.00
    17   1    -0.02  -0.01   0.07    -0.00   0.00  -0.02     0.01  -0.01   0.23
    18   1     0.05  -0.02   0.03     0.01  -0.05   0.47    -0.06   0.02   0.04
    19   1    -0.01  -0.01  -0.05     0.00  -0.05   0.52    -0.01   0.06  -0.19
    20   1     0.03   0.45  -0.51    -0.00   0.01  -0.01    -0.02   0.13  -0.15
                     19                     20                     21
                      A                      A                      A
 Frequencies --    927.6566               956.8059               974.8972
 Red. masses --      1.4871                 1.3573                 1.2407
 Frc consts  --      0.7540                 0.7321                 0.6948
 IR Inten    --      0.8654                 0.0303                 0.2278
 RamAct Fr= 1--      1.5963                 0.1130                 0.0519
  Dep-P Fr= 1--      0.7250                 0.2668                 0.5766
  Dep-U Fr= 1--      0.8405                 0.4213                 0.7315
 Alpha2 Fr= 1--      0.0007                 0.0013                 0.0002
 Beta2  Fr= 1--      0.2236                 0.0079                 0.0063
 AlphaG Fr= 1--     -0.0014                -0.0098                 0.0038
 Gamma2 Fr= 1--     -0.6467                -0.2438                 0.0467
 Delta2 Fr= 1--      0.0964                 0.0511                 0.0235
 Raman1 Fr= 1--       6.385                  0.452                  0.208
 ROA1   Fr= 1--     -58.999                -21.771                  5.231
 CID1   Fr= 1--      -9.240                -48.179                 25.190
 Raman2 Fr= 1--       2.684                  0.095                  0.076
 ROA2   Fr= 1--     -16.292                 -6.260                  0.932
 CID2   Fr= 1--      -6.071                -65.775                 12.266
 Raman3 Fr= 1--       5.367                  0.190                  0.152
 ROA3   Fr= 1--     -58.999                -21.771                  5.231
 CID3   Fr= 1--     -10.993               -114.365                 34.437
 RC180  Fr= 1--       0.681                 -0.157                  0.463
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.01  -0.01  -0.01    -0.00   0.01  -0.10    -0.00   0.01  -0.07
     2   6     0.00  -0.02   0.10     0.00  -0.01   0.09     0.00  -0.00   0.03
     3   6    -0.01   0.01  -0.09    -0.00  -0.00   0.00     0.00   0.00  -0.00
     4   6     0.00  -0.00   0.10     0.00   0.01  -0.08    -0.00  -0.00   0.04
     5   6     0.01   0.01  -0.00     0.00  -0.01   0.09     0.00   0.01  -0.08
     6   6    -0.00   0.01  -0.09    -0.00  -0.00   0.01     0.00  -0.01   0.08
     7   6    -0.04  -0.00  -0.02    -0.00  -0.00   0.00     0.00   0.00  -0.01
     8   7     0.03   0.02   0.04     0.00   0.00   0.00     0.00   0.00   0.01
     9   6    -0.01  -0.02  -0.03    -0.00   0.00  -0.00    -0.01  -0.00   0.00
    10   1     0.02  -0.04   0.19    -0.01  -0.00  -0.00    -0.00   0.00   0.01
    11   1    -0.06  -0.03   0.08     0.00  -0.00  -0.01     0.00   0.00  -0.00
    12   1    -0.04  -0.05   0.13     0.01   0.00  -0.00     0.01  -0.00   0.01
    13   1     0.08   0.13  -0.10     0.02   0.00  -0.01     0.01   0.00  -0.01
    14   1     0.00   0.05   0.05    -0.01  -0.01   0.02    -0.01  -0.01   0.02
    15   1    -0.00   0.05  -0.51     0.01  -0.04   0.44    -0.01   0.03  -0.33
    16   1     0.02   0.01  -0.03    -0.00   0.05  -0.46     0.01  -0.06   0.55
    17   1     0.00  -0.06   0.57    -0.00   0.01  -0.05    -0.00   0.05  -0.52
    18   1     0.02  -0.01  -0.02     0.00  -0.06   0.56     0.00  -0.05   0.46
    19   1    -0.00   0.03  -0.50    -0.00   0.05  -0.49    -0.00   0.02  -0.26
    20   1     0.02  -0.07   0.05     0.00  -0.00   0.02     0.00  -0.00   0.02
                     22                     23                     24
                      A                      A                      A
 Frequencies --   1012.0277              1026.6513              1055.0167
 Red. masses --      1.6157                 5.6616                 2.2517
 Frc consts  --      0.9750                 3.5159                 1.4766
 IR Inten    --      5.4792                 0.4029                 4.3229
 RamAct Fr= 1--     14.2987                43.0660                23.3465
  Dep-P Fr= 1--      0.1463                 0.0480                 0.0438
  Dep-U Fr= 1--      0.2553                 0.0916                 0.0839
 Alpha2 Fr= 1--      0.2231                 0.8548                 0.4680
 Beta2  Fr= 1--      0.6085                 0.6574                 0.3264
 AlphaG Fr= 1--     -0.0632                 0.0524                 0.0139
 Gamma2 Fr= 1--      2.1306                -0.6823                -0.1232
 Delta2 Fr= 1--      1.2800                -0.2457                -0.2045
 Raman1 Fr= 1--      57.195                172.264                 93.386
 ROA1   Fr= 1--     245.494                -73.364                -18.374
 CID1   Fr= 1--       4.292                 -0.426                 -0.197
 Raman2 Fr= 1--       7.301                  7.888                  3.917
 ROA2   Fr= 1--      40.894                -14.410                 -1.321
 CID2   Fr= 1--       5.601                 -1.827                 -0.337
 Raman3 Fr= 1--      14.603                 15.777                  7.834
 ROA3   Fr= 1--     245.494                -73.364                -18.374
 CID3   Fr= 1--      16.811                 -4.650                 -2.345
 RC180  Fr= 1--      -0.489                 -0.817                 -0.832
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.02   0.04   0.01    -0.02   0.06   0.01    -0.00   0.19   0.02
     2   6     0.03   0.05  -0.00    -0.22  -0.30  -0.03     0.04  -0.08  -0.01
     3   6     0.03  -0.02  -0.01     0.02   0.00  -0.00     0.04  -0.00   0.00
     4   6     0.01  -0.02  -0.00    -0.13   0.35   0.03     0.06   0.06   0.01
     5   6    -0.01  -0.02  -0.00    -0.03  -0.05  -0.00    -0.06  -0.19  -0.02
     6   6    -0.04  -0.01  -0.00     0.35  -0.05  -0.01    -0.14   0.02   0.00
     7   6     0.04  -0.02  -0.12     0.03   0.00  -0.05    -0.01   0.01   0.02
     8   7     0.05   0.01   0.08     0.03   0.00   0.03    -0.02  -0.00  -0.01
     9   6    -0.14   0.01   0.02    -0.04  -0.00   0.02     0.00  -0.01  -0.01
    10   1    -0.07   0.05  -0.12    -0.05   0.02  -0.08     0.04  -0.00   0.04
    11   1     0.23   0.05  -0.29     0.00   0.02  -0.14    -0.03  -0.00   0.08
    12   1     0.27   0.05  -0.07     0.08   0.01  -0.02    -0.02  -0.02   0.05
    13   1     0.26  -0.02  -0.14     0.05  -0.04  -0.01     0.02   0.06  -0.04
    14   1    -0.22  -0.42   0.48    -0.07  -0.14   0.14     0.01   0.04   0.01
    15   1    -0.00  -0.03   0.01    -0.10   0.38   0.06     0.38   0.18   0.01
    16   1     0.00  -0.03  -0.02     0.00  -0.05  -0.03     0.23  -0.43  -0.04
    17   1    -0.05  -0.04   0.01     0.37  -0.07  -0.00    -0.15   0.03   0.01
    18   1    -0.06   0.03  -0.04    -0.01   0.05   0.00     0.36   0.34   0.03
    19   1     0.03   0.05   0.07    -0.17  -0.35  -0.02     0.30  -0.28  -0.04
    20   1     0.06   0.03   0.37     0.03   0.02   0.21    -0.02   0.00  -0.12
                     25                     26                     27
                      A                      A                      A
 Frequencies --   1074.1089              1112.8397              1121.8320
 Red. masses --      2.4664                 1.7742                 1.6419
 Frc consts  --      1.6765                 1.2945                 1.2174
 IR Inten    --     16.8555                 9.1036                 8.2962
 RamAct Fr= 1--      6.5039                 3.0948                 2.0593
  Dep-P Fr= 1--      0.5266                 0.3676                 0.6207
  Dep-U Fr= 1--      0.6899                 0.5376                 0.7660
 Alpha2 Fr= 1--      0.0282                 0.0256                 0.0049
 Beta2  Fr= 1--      0.7479                 0.2773                 0.2629
 AlphaG Fr= 1--      0.0929                 0.0632                 0.0076
 Gamma2 Fr= 1--     -0.0837                 0.4782                 0.6378
 Delta2 Fr= 1--     -2.2319                 0.3501                 0.3433
 Raman1 Fr= 1--      26.016                 12.379                  8.237
 ROA1   Fr= 1--     -79.456                 57.109                 72.211
 CID1   Fr= 1--      -3.054                  4.613                  8.767
 Raman2 Fr= 1--       8.974                  3.327                  3.155
 ROA2   Fr= 1--      15.846                  8.675                 12.559
 CID2   Fr= 1--       1.766                  2.607                  3.981
 Raman3 Fr= 1--      17.949                  6.655                  6.309
 ROA3   Fr= 1--     -79.456                 57.109                 72.211
 CID3   Fr= 1--      -4.427                  8.581                 11.445
 RC180  Fr= 1--       0.380                  0.075                  0.532
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.04   0.05   0.01     0.03  -0.04  -0.00     0.04  -0.04  -0.00
     2   6     0.06   0.04   0.02    -0.10  -0.01   0.01    -0.03  -0.03  -0.00
     3   6    -0.01  -0.06  -0.06     0.06   0.03  -0.03    -0.12   0.04  -0.01
     4   6    -0.05   0.07   0.02     0.09  -0.05   0.01     0.02  -0.01   0.00
     5   6     0.05   0.04   0.00    -0.08  -0.05  -0.00     0.04   0.00  -0.00
     6   6    -0.00  -0.06  -0.01     0.03   0.07   0.01    -0.03   0.03   0.00
     7   6    -0.04  -0.16   0.20     0.02  -0.05   0.13    -0.07  -0.09  -0.02
     8   7    -0.01   0.01  -0.08    -0.02  -0.02  -0.05     0.08   0.03   0.02
     9   6     0.00   0.15  -0.05    -0.04   0.05  -0.05     0.05   0.07   0.04
    10   1    -0.06  -0.05   0.01    -0.05  -0.01  -0.11    -0.19   0.01  -0.17
    11   1     0.24  -0.11   0.13     0.07  -0.04   0.12    -0.33  -0.07  -0.29
    12   1     0.35   0.24  -0.41     0.18   0.08  -0.07     0.05   0.12  -0.30
    13   1     0.13  -0.12  -0.04     0.17   0.04  -0.13    -0.16  -0.21   0.18
    14   1    -0.07  -0.21   0.06    -0.07  -0.14   0.17     0.03  -0.01  -0.21
    15   1    -0.23   0.01  -0.08     0.38   0.07  -0.04     0.23   0.08  -0.01
    16   1     0.19  -0.07  -0.01    -0.29   0.11   0.01     0.09  -0.05  -0.01
    17   1    -0.05  -0.35  -0.03     0.09   0.48   0.05    -0.01   0.14   0.02
    18   1    -0.20  -0.00  -0.00     0.16   0.00  -0.00     0.23   0.03  -0.00
    19   1     0.21  -0.07  -0.06    -0.43   0.24   0.00     0.03  -0.08  -0.00
    20   1    -0.03  -0.10  -0.11    -0.02   0.00  -0.06     0.06  -0.05   0.51
                     28                     29                     30
                      A                      A                      A
 Frequencies --   1184.8234              1200.1757              1207.6744
 Red. masses --      1.1254                 1.6000                 1.1343
 Frc consts  --      0.9308                 1.3579                 0.9747
 IR Inten    --      0.1025                 2.2241                 0.0477
 RamAct Fr= 1--      3.0331                 3.9347                 4.4827
  Dep-P Fr= 1--      0.7303                 0.2727                 0.6244
  Dep-U Fr= 1--      0.8441                 0.4285                 0.7688
 Alpha2 Fr= 1--      0.0010                 0.0437                 0.0103
 Beta2  Fr= 1--      0.4267                 0.2810                 0.5744
 AlphaG Fr= 1--     -0.0002                -0.0035                 0.0042
 Gamma2 Fr= 1--      0.4141                -2.0478                -0.0984
 Delta2 Fr= 1--     -0.0545                 0.3065                -0.0124
 Raman1 Fr= 1--      12.132                 15.739                 17.931
 ROA1   Fr= 1--      38.006               -186.784                 -9.846
 CID1   Fr= 1--       3.133                -11.868                 -0.549
 Raman2 Fr= 1--       5.121                  3.372                  6.893
 ROA2   Fr= 1--      10.373                -51.600                 -2.263
 CID2   Fr= 1--       2.026                -15.301                 -0.328
 Raman3 Fr= 1--      10.241                  6.744                 13.785
 ROA3   Fr= 1--      38.006               -186.784                 -9.846
 CID3   Fr= 1--       3.711                -27.695                 -0.714
 RC180  Fr= 1--       0.688                 -0.143                  0.538
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.05  -0.02  -0.00     0.00   0.00  -0.00     0.05   0.02   0.00
     2   6     0.01  -0.01  -0.00    -0.03   0.03  -0.00    -0.05   0.04   0.00
     3   6    -0.00   0.01  -0.00     0.00  -0.06   0.03     0.01  -0.00  -0.00
     4   6    -0.01  -0.01  -0.00     0.03   0.03  -0.00    -0.05  -0.02  -0.00
     5   6     0.04  -0.03  -0.00    -0.01  -0.00  -0.00     0.04  -0.03  -0.00
     6   6     0.01   0.07   0.01     0.01   0.01   0.00     0.01  -0.00  -0.00
     7   6     0.01   0.01   0.02    -0.06  -0.10  -0.13    -0.00   0.00  -0.00
     8   7    -0.00  -0.01  -0.01    -0.02   0.07   0.05    -0.00   0.00  -0.00
     9   6    -0.01  -0.00  -0.01     0.03   0.03   0.05     0.00   0.00  -0.00
    10   1    -0.02   0.01  -0.06     0.20  -0.07   0.55    -0.00  -0.00   0.01
    11   1    -0.03   0.01   0.01     0.43  -0.07   0.03     0.01   0.00   0.01
    12   1     0.01  -0.01   0.02    -0.01   0.05  -0.15    -0.01   0.00   0.00
    13   1     0.02   0.02  -0.02    -0.10  -0.16   0.14    -0.00  -0.01   0.00
    14   1    -0.00   0.01   0.03     0.00  -0.07  -0.16    -0.00  -0.02   0.00
    15   1    -0.19  -0.08  -0.01     0.18   0.08   0.04    -0.46  -0.18  -0.01
    16   1     0.39  -0.31  -0.04     0.05  -0.05  -0.00     0.37  -0.29  -0.03
    17   1     0.10   0.64   0.07     0.04   0.23   0.02     0.01  -0.01  -0.00
    18   1    -0.44  -0.17  -0.02    -0.09  -0.04   0.00     0.46   0.18   0.02
    19   1     0.14  -0.11  -0.01    -0.14   0.11   0.02    -0.41   0.32   0.03
    20   1     0.00   0.02   0.03    -0.04  -0.15  -0.37    -0.00  -0.01  -0.01
                     31                     32                     33
                      A                      A                      A
 Frequencies --   1234.6121              1332.2650              1356.8244
 Red. masses --      2.1575                 3.3275                 1.7117
 Frc consts  --      1.9376                 3.4797                 1.8566
 IR Inten    --      4.3663                 4.2179                 3.0364
 RamAct Fr= 1--     24.9046                 0.9013                 1.0320
  Dep-P Fr= 1--      0.0485                 0.1412                 0.4398
  Dep-U Fr= 1--      0.0926                 0.2475                 0.6110
 Alpha2 Fr= 1--      0.4936                 0.0142                 0.0066
 Beta2  Fr= 1--      0.3844                 0.0372                 0.1051
 AlphaG Fr= 1--     -0.0693                -0.0095                 0.0061
 Gamma2 Fr= 1--     -0.5497                 0.5008                 0.7410
 Delta2 Fr= 1--     -0.1159                 0.1988                -0.5903
 Raman1 Fr= 1--      99.618                  3.605                  4.128
 ROA1   Fr= 1--     -56.483                 54.437                 52.248
 CID1   Fr= 1--      -0.567                 15.100                 12.657
 Raman2 Fr= 1--       4.612                  0.446                  1.261
 ROA2   Fr= 1--     -12.266                 10.428                 22.506
 CID2   Fr= 1--      -2.659                 23.377                 17.848
 Raman3 Fr= 1--       9.225                  0.892                  2.522
 ROA3   Fr= 1--     -56.483                 54.437                 52.248
 CID3   Fr= 1--      -6.123                 61.020                 20.717
 RC180  Fr= 1--      -0.815                 -0.505                  0.222
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.07   0.06   0.01    -0.14  -0.09  -0.01    -0.06  -0.00   0.00
     2   6     0.05  -0.03  -0.00     0.07  -0.08  -0.01     0.12  -0.06  -0.01
     3   6     0.25   0.01   0.00    -0.02   0.26   0.04     0.02  -0.02  -0.01
     4   6     0.02  -0.03  -0.00    -0.13  -0.07  -0.01    -0.12  -0.02  -0.00
     5   6    -0.06  -0.05  -0.00     0.13  -0.10  -0.01     0.05  -0.03  -0.00
     6   6     0.02   0.01   0.00     0.02   0.13   0.01     0.02   0.12   0.01
     7   6    -0.12  -0.03  -0.03     0.11  -0.07  -0.07    -0.06   0.02   0.04
     8   7     0.02   0.04   0.02    -0.04   0.02   0.01     0.01   0.00   0.00
     9   6     0.03   0.05   0.02    -0.05   0.05   0.02     0.03  -0.02  -0.02
    10   1    -0.03  -0.01   0.09     0.13  -0.02   0.24    -0.05   0.00  -0.05
    11   1    -0.69  -0.09  -0.12    -0.01  -0.18   0.36     0.20   0.12  -0.30
    12   1    -0.02   0.07  -0.14     0.15   0.08  -0.07    -0.11  -0.05   0.07
    13   1    -0.08  -0.09   0.09     0.11  -0.14  -0.00    -0.07   0.05   0.00
    14   1     0.00  -0.04  -0.09    -0.08  -0.15   0.03     0.03   0.02   0.01
    15   1    -0.37  -0.20  -0.01    -0.12  -0.07   0.01     0.46   0.21   0.01
    16   1    -0.26   0.10   0.01    -0.24   0.19   0.02     0.15  -0.11  -0.01
    17   1     0.00  -0.04  -0.00    -0.01  -0.09  -0.01    -0.05  -0.31  -0.03
    18   1    -0.21   0.00   0.00     0.41   0.12   0.01    -0.22  -0.06  -0.00
    19   1    -0.11   0.10   0.01     0.20  -0.18  -0.01    -0.43   0.36   0.04
    20   1     0.00  -0.08   0.04    -0.03  -0.02  -0.28     0.01  -0.03   0.05
                     34                     35                     36
                      A                      A                      A
 Frequencies --   1376.2065              1406.5884              1412.6914
 Red. masses --      1.2046                 1.2322                 1.4245
 Frc consts  --      1.3442                 1.4363                 1.6749
 IR Inten    --      4.7058                 7.7464                12.1612
 RamAct Fr= 1--      4.3937                 0.2835                 3.0192
  Dep-P Fr= 1--      0.6652                 0.6247                 0.5062
  Dep-U Fr= 1--      0.7989                 0.7690                 0.6721
 Alpha2 Fr= 1--      0.0066                 0.0006                 0.0145
 Beta2  Fr= 1--      0.5850                 0.0363                 0.3382
 AlphaG Fr= 1--     -0.0005                 0.0029                 0.0384
 Gamma2 Fr= 1--     -2.2946                -0.0123                 0.8973
 Delta2 Fr= 1--      0.1358                 0.1110                 0.1866
 Raman1 Fr= 1--      17.575                  1.134                 12.077
 ROA1   Fr= 1--    -215.940                  2.374                 92.117
 CID1   Fr= 1--     -12.287                  2.094                  7.628
 Raman2 Fr= 1--       7.020                  0.436                  4.059
 ROA2   Fr= 1--     -56.157                 -1.183                 20.043
 CID2   Fr= 1--      -7.999                 -2.714                  4.938
 Raman3 Fr= 1--      14.041                  0.872                  8.117
 ROA3   Fr= 1--    -215.940                  2.374                 92.117
 CID3   Fr= 1--     -15.379                  2.723                 11.348
 RC180  Fr= 1--       0.598                  0.538                  0.344
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.03   0.01   0.00    -0.00  -0.00  -0.00    -0.05  -0.00  -0.00
     2   6     0.02  -0.01  -0.00    -0.00   0.00   0.00     0.02  -0.00   0.00
     3   6    -0.01  -0.05  -0.00    -0.00   0.01  -0.00     0.04   0.02   0.00
     4   6    -0.02  -0.00  -0.00     0.01   0.00   0.00     0.01   0.02   0.00
     5   6    -0.02   0.02   0.00     0.01  -0.00  -0.00     0.03  -0.04  -0.00
     6   6     0.00   0.02   0.00    -0.00  -0.01  -0.00    -0.00  -0.01  -0.00
     7   6     0.03   0.04  -0.08    -0.01  -0.01   0.01    -0.15   0.03  -0.02
     8   7     0.01  -0.04  -0.01     0.00  -0.00   0.00     0.04  -0.04  -0.02
     9   6    -0.01   0.05   0.02     0.07   0.07  -0.10     0.04  -0.02   0.02
    10   1    -0.02  -0.00  -0.10     0.00   0.01  -0.02    -0.14  -0.00  -0.25
    11   1    -0.26  -0.19   0.79     0.06   0.01  -0.01     0.61   0.06   0.39
    12   1     0.01   0.06  -0.06    -0.29  -0.08   0.48    -0.16  -0.00  -0.19
    13   1    -0.01  -0.11   0.06    -0.40  -0.37   0.21    -0.10   0.21   0.02
    14   1    -0.05  -0.14   0.02    -0.03  -0.34   0.44     0.03   0.01  -0.05
    15   1     0.21   0.08   0.02    -0.04  -0.02  -0.00    -0.18  -0.05   0.00
    16   1     0.15  -0.11  -0.01    -0.04   0.03   0.00    -0.19   0.14   0.01
    17   1    -0.02  -0.13  -0.01     0.01   0.05   0.00     0.02   0.15   0.02
    18   1    -0.17  -0.06  -0.01     0.04   0.02   0.00     0.13   0.07   0.00
    19   1    -0.16   0.13   0.01     0.06  -0.05  -0.01     0.05  -0.02  -0.00
    20   1     0.02   0.07   0.13     0.00   0.01   0.01     0.05   0.04   0.31
                     37                     38                     39
                      A                      A                      A
 Frequencies --   1490.4102              1493.6132              1496.3249
 Red. masses --      1.3830                 1.2680                 1.1895
 Frc consts  --      1.8100                 1.6667                 1.5692
 IR Inten    --      6.4099                 1.1655                 7.6628
 RamAct Fr= 1--      1.9451                 4.1693                 3.4335
  Dep-P Fr= 1--      0.7339                 0.7383                 0.4538
  Dep-U Fr= 1--      0.8465                 0.8495                 0.6243
 Alpha2 Fr= 1--      0.0005                 0.0008                 0.0207
 Beta2  Fr= 1--      0.2744                 0.5903                 0.3573
 AlphaG Fr= 1--     -0.0111                -0.0007                -0.0473
 Gamma2 Fr= 1--     -1.5085                 1.8152                -3.0480
 Delta2 Fr= 1--      0.2036                -1.6858                 1.2432
 Raman1 Fr= 1--       7.781                 16.677                 13.734
 ROA1   Fr= 1--    -138.297                120.316               -252.824
 CID1   Fr= 1--     -17.775                  7.214                -18.409
 Raman2 Fr= 1--       3.293                  7.083                  4.287
 ROA2   Fr= 1--     -37.833                 57.052                -83.097
 CID2   Fr= 1--     -11.488                  8.054                -19.382
 Raman3 Fr= 1--       6.586                 14.167                  8.575
 ROA3   Fr= 1--    -138.297                120.316               -252.824
 CID3   Fr= 1--     -20.997                  8.493                -29.485
 RC180  Fr= 1--       0.693                  0.699                  0.249
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.07   0.02   0.00     0.05  -0.02  -0.00    -0.04   0.00   0.00
     2   6     0.06   0.02   0.00    -0.04  -0.01  -0.00     0.02   0.02   0.00
     3   6    -0.01  -0.09  -0.01     0.02   0.07   0.01    -0.01  -0.05  -0.01
     4   6    -0.04   0.04   0.00     0.03  -0.03  -0.00    -0.04   0.01   0.00
     5   6     0.08  -0.01  -0.00    -0.06   0.00   0.00     0.04   0.01   0.00
     6   6    -0.01  -0.07  -0.01     0.01   0.06   0.01     0.00  -0.04  -0.00
     7   6    -0.01   0.02  -0.02    -0.02  -0.03  -0.02     0.06  -0.01   0.00
     8   7     0.01  -0.00   0.00     0.00   0.00   0.00    -0.01   0.01   0.00
     9   6    -0.03  -0.01  -0.02    -0.00  -0.04  -0.03     0.03  -0.03   0.00
    10   1    -0.03   0.00  -0.03    -0.02  -0.01   0.01     0.05  -0.00   0.08
    11   1    -0.11  -0.02   0.06     0.12  -0.02   0.06    -0.24  -0.05  -0.04
    12   1     0.54   0.01   0.22     0.41   0.05  -0.14    -0.21   0.04  -0.46
    13   1    -0.09  -0.30   0.08    -0.43   0.09   0.14    -0.36   0.51   0.04
    14   1     0.09   0.48   0.09     0.11   0.45   0.44     0.00  -0.11   0.40
    15   1     0.08   0.09   0.01    -0.06  -0.07  -0.01     0.12   0.08   0.01
    16   1    -0.15   0.18   0.02     0.11  -0.14  -0.01    -0.02   0.07   0.01
    17   1     0.05   0.34   0.04    -0.04  -0.28  -0.03     0.04   0.19   0.02
    18   1     0.17   0.12   0.01    -0.13  -0.09  -0.01     0.14   0.08   0.01
    19   1    -0.08   0.13   0.03     0.03  -0.08   0.00     0.01   0.04  -0.00
    20   1     0.01  -0.01   0.01     0.00  -0.01  -0.01    -0.01   0.01  -0.08
                     40                     41                     42
                      A                      A                      A
 Frequencies --   1536.5278              1630.5898              1647.7431
 Red. masses --      2.2281                 5.4311                 1.8976
 Frc consts  --      3.0993                 8.5081                 3.0355
 IR Inten    --      7.4663                 0.6408                13.3717
 RamAct Fr= 1--      0.1414                 9.7685                19.5982
  Dep-P Fr= 1--      0.5349                 0.7401                 0.7158
  Dep-U Fr= 1--      0.6970                 0.8506                 0.8344
 Alpha2 Fr= 1--      0.0006                 0.0017                 0.0116
 Beta2  Fr= 1--      0.0164                 1.3849                 2.7254
 AlphaG Fr= 1--      0.0004                 0.0065                -0.0176
 Gamma2 Fr= 1--      0.2804                 0.1729                -1.4889
 Delta2 Fr= 1--     -0.0626                 0.1023                 0.7055
 Raman1 Fr= 1--       0.566                 39.074                 78.393
 ROA1   Fr= 1--      24.914                 19.867               -120.361
 CID1   Fr= 1--      44.048                  0.508                 -1.535
 Raman2 Fr= 1--       0.197                 16.619                 32.705
 ROA2   Fr= 1--       7.230                  3.330                -41.379
 CID2   Fr= 1--      36.680                  0.200                 -1.265
 Raman3 Fr= 1--       0.394                 33.237                 65.410
 ROA3   Fr= 1--      24.914                 19.867               -120.361
 CID3   Fr= 1--      63.200                  0.598                 -1.840
 RC180  Fr= 1--       0.394                  0.701                  0.669
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.13  -0.09  -0.01    -0.09  -0.19  -0.02    -0.12  -0.01  -0.00
     2   6    -0.05   0.11   0.01    -0.08   0.20   0.02     0.12  -0.05  -0.01
     3   6     0.14  -0.02  -0.00    -0.04  -0.30  -0.03    -0.09   0.01  -0.00
     4   6    -0.08  -0.09  -0.01     0.11   0.17   0.02     0.13   0.02   0.00
     5   6    -0.10   0.12   0.01     0.05  -0.22  -0.02    -0.11   0.04   0.01
     6   6     0.11  -0.01  -0.00     0.04   0.35   0.04     0.06  -0.00  -0.00
     7   6    -0.05   0.01  -0.00     0.02   0.03   0.00    -0.00  -0.02   0.01
     8   7     0.01  -0.00   0.00    -0.00  -0.00  -0.00    -0.04  -0.03  -0.05
     9   6    -0.00   0.00   0.00     0.00   0.00   0.00     0.00   0.00  -0.00
    10   1    -0.05   0.00  -0.05     0.03   0.01  -0.00     0.59   0.07   0.25
    11   1     0.01   0.01   0.02    -0.24  -0.01  -0.01    -0.00  -0.00  -0.06
    12   1     0.02  -0.01   0.08    -0.02  -0.01   0.02     0.02   0.00  -0.00
    13   1     0.06  -0.08  -0.00     0.02  -0.01  -0.00    -0.01  -0.01   0.00
    14   1    -0.00   0.02  -0.09    -0.00  -0.01  -0.02     0.01   0.02   0.00
    15   1     0.41   0.09   0.01    -0.28   0.02   0.01    -0.14  -0.09  -0.01
    16   1     0.40  -0.26  -0.03    -0.26   0.00   0.00     0.09  -0.11  -0.01
    17   1     0.13  -0.03  -0.00    -0.08  -0.47  -0.05     0.07  -0.01  -0.00
    18   1     0.46   0.13   0.01     0.22  -0.09  -0.01     0.12   0.09   0.01
    19   1     0.40  -0.23  -0.02     0.31  -0.09  -0.01    -0.12   0.14   0.00
    20   1     0.00  -0.02   0.02     0.00   0.03   0.03     0.02   0.50   0.37
                     43                     44                     45
                      A                      A                      A
 Frequencies --   1655.0859              3024.7747              3026.4526
 Red. masses --      1.7570                 1.0358                 1.0832
 Frc consts  --      2.8358                 5.5834                 5.8457
 IR Inten    --     27.2956                24.5281                18.5298
 RamAct Fr= 1--     14.7772               168.8781               103.8786
  Dep-P Fr= 1--      0.5897                 0.0430                 0.1463
  Dep-U Fr= 1--      0.7419                 0.0824                 0.2552
 Alpha2 Fr= 1--      0.0442                 3.3920                 1.6211
 Beta2  Fr= 1--      1.8271                 2.3197                 4.4187
 AlphaG Fr= 1--      0.0598                -0.0626                -0.2794
 Gamma2 Fr= 1--      2.7123                 0.4738                 2.9001
 Delta2 Fr= 1--     -0.2294                -1.4190                 2.0886
 Raman1 Fr= 1--      59.109                675.512                415.514
 ROA1   Fr= 1--     253.036                  0.074                345.241
 CID1   Fr= 1--       4.281                  0.000                  0.831
 Raman2 Fr= 1--      21.926                 27.836                 53.024
 ROA2   Fr= 1--      66.929                 22.722                 52.893
 CID2   Fr= 1--       3.053                  0.816                  0.998
 Raman3 Fr= 1--      43.851                 55.672                106.049
 ROA3   Fr= 1--     253.036                  0.074                345.241
 CID3   Fr= 1--       5.770                  0.001                  3.256
 RC180  Fr= 1--       0.484                 -0.835                 -0.490
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.10   0.01   0.00    -0.00   0.00   0.00    -0.00  -0.00  -0.00
     2   6    -0.11   0.05   0.01     0.00   0.00  -0.00    -0.00  -0.00  -0.00
     3   6     0.10  -0.00  -0.00     0.00  -0.00   0.00    -0.00  -0.00  -0.00
     4   6    -0.12  -0.02  -0.00    -0.00   0.00   0.00    -0.00   0.00   0.00
     5   6     0.09  -0.04  -0.00    -0.00  -0.00  -0.00     0.00   0.00   0.00
     6   6    -0.05   0.00   0.00    -0.00   0.00   0.00    -0.00   0.00   0.00
     7   6    -0.03  -0.02   0.01     0.00  -0.01  -0.00     0.01  -0.08  -0.02
     8   7    -0.04  -0.03  -0.05    -0.00   0.00   0.00    -0.00   0.00  -0.00
     9   6     0.00   0.00   0.00    -0.03  -0.02   0.04    -0.00   0.02   0.00
    10   1     0.60   0.07   0.24     0.00  -0.00   0.00     0.01  -0.02  -0.00
    11   1     0.01   0.00  -0.06    -0.02   0.15   0.03    -0.14   0.94   0.19
    12   1     0.03   0.00   0.00    -0.06   0.50   0.10     0.03  -0.23  -0.04
    13   1     0.00  -0.02   0.01    -0.23  -0.12  -0.51     0.01   0.01   0.04
    14   1     0.01   0.04  -0.02     0.61  -0.14   0.00    -0.02   0.01   0.00
    15   1     0.14   0.08   0.01     0.00  -0.00  -0.00     0.01  -0.02  -0.00
    16   1    -0.07   0.09   0.01     0.00   0.00   0.00     0.00   0.00   0.00
    17   1    -0.05   0.02   0.00     0.00   0.00   0.00     0.00   0.00  -0.00
    18   1    -0.10  -0.07  -0.01    -0.00   0.00  -0.00     0.00   0.00  -0.00
    19   1     0.10  -0.11  -0.02    -0.01  -0.01  -0.00     0.01   0.01   0.00
    20   1     0.02   0.51   0.40     0.00   0.00   0.00    -0.00  -0.00  -0.00
                     46                     47                     48
                      A                      A                      A
 Frequencies --   3087.2422              3095.3151              3160.7996
 Red. masses --      1.1020                 1.1016                 1.0853
 Frc consts  --      6.1880                 6.2182                 6.3885
 IR Inten    --     39.0955                31.1105                 7.1553
 RamAct Fr= 1--     99.0490                38.9220                18.8419
  Dep-P Fr= 1--      0.7076                 0.5594                 0.4459
  Dep-U Fr= 1--      0.8288                 0.7175                 0.6168
 Alpha2 Fr= 1--      0.0728                 0.1409                 0.1174
 Beta2  Fr= 1--     13.6817                 4.6544                 1.9368
 AlphaG Fr= 1--     -0.0110                 0.0187                -0.0066
 Gamma2 Fr= 1--     -1.6386                 2.5589                -0.2889
 Delta2 Fr= 1--      1.7306                 1.1920                -0.2098
 Raman1 Fr= 1--     396.196                155.688                 75.368
 ROA1   Fr= 1--    -101.925                283.795                -34.443
 CID1   Fr= 1--      -0.257                  1.823                 -0.457
 Raman2 Fr= 1--     164.181                 55.853                 23.242
 ROA2   Fr= 1--     -53.171                 51.877                 -5.255
 CID2   Fr= 1--      -0.324                  0.929                 -0.226
 Raman3 Fr= 1--     328.361                111.705                 46.484
 ROA3   Fr= 1--    -101.925                283.795                -34.443
 CID3   Fr= 1--      -0.310                  2.541                 -0.741
 RC180  Fr= 1--       0.658                  0.435                  0.234
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.00   0.00   0.00     0.00  -0.00  -0.00    -0.01   0.04   0.00
     2   6    -0.00  -0.00   0.00     0.00   0.00   0.00    -0.04  -0.05  -0.00
     3   6     0.00   0.00  -0.00     0.00  -0.00   0.00    -0.00   0.00   0.00
     4   6     0.00  -0.00   0.00    -0.00   0.00   0.00    -0.01   0.02   0.00
     5   6    -0.00   0.00  -0.00     0.00  -0.00  -0.00    -0.01  -0.02  -0.00
     6   6    -0.00  -0.00  -0.00     0.00  -0.00   0.00     0.02  -0.00  -0.00
     7   6    -0.00   0.01   0.00     0.00  -0.01  -0.00    -0.00   0.00  -0.00
     8   7     0.00  -0.00   0.00     0.00   0.00   0.00     0.00   0.00   0.00
     9   6    -0.08   0.03  -0.04    -0.00  -0.07  -0.05     0.00  -0.00  -0.00
    10   1    -0.00   0.00  -0.00     0.00  -0.01   0.00     0.00  -0.00   0.00
    11   1     0.01  -0.07  -0.01    -0.02   0.15   0.03     0.00  -0.00  -0.00
    12   1     0.01  -0.28  -0.06    -0.09   0.76   0.13    -0.00   0.04   0.01
    13   1     0.20   0.13   0.51     0.23   0.11   0.53     0.00   0.00   0.01
    14   1     0.75  -0.17  -0.01    -0.13   0.01  -0.01    -0.00   0.00  -0.00
    15   1    -0.00   0.01   0.00     0.01  -0.01  -0.00     0.10  -0.25  -0.02
    16   1    -0.00  -0.00  -0.00     0.00   0.00   0.00     0.17   0.22   0.02
    17   1     0.00  -0.00  -0.00    -0.00   0.00   0.00    -0.30   0.04   0.01
    18   1     0.00  -0.00  -0.00    -0.00   0.01   0.00     0.18  -0.47  -0.05
    19   1     0.01   0.01   0.00    -0.03  -0.04  -0.00     0.43   0.55   0.05
    20   1    -0.00  -0.00   0.00    -0.00  -0.00  -0.00    -0.00   0.00   0.00
                     49                     50                     51
                      A                      A                      A
 Frequencies --   3164.8426              3174.7777              3183.0837
 Red. masses --      1.0868                 1.0897                 1.0935
 Frc consts  --      6.4136                 6.4714                 6.5278
 IR Inten    --      2.4075                 7.8683                32.3042
 RamAct Fr= 1--     87.0838               119.0772                29.9040
  Dep-P Fr= 1--      0.7399                 0.5031                 0.7484
  Dep-U Fr= 1--      0.8505                 0.6694                 0.8561
 Alpha2 Fr= 1--      0.0149                 0.5795                 0.0008
 Beta2  Fr= 1--     12.3447                13.2857                 4.2667
 AlphaG Fr= 1--     -0.0037                -0.0031                -0.0018
 Gamma2 Fr= 1--     -1.9291                -0.8273                 0.5190
 Delta2 Fr= 1--     -0.4350                -0.5031                -0.6544
 Raman1 Fr= 1--     348.335                476.309                119.616
 ROA1   Fr= 1--    -199.114                -95.522                 28.883
 CID1   Fr= 1--      -0.572                 -0.201                  0.241
 Raman2 Fr= 1--     148.136                159.428                 51.200
 ROA2   Fr= 1--     -42.818                -15.831                 17.691
 CID2   Fr= 1--      -0.289                 -0.099                  0.346
 Raman3 Fr= 1--     296.273                318.857                102.400
 ROA3   Fr= 1--    -199.114                -95.522                 28.883
 CID3   Fr= 1--      -0.672                 -0.300                  0.282
 RC180  Fr= 1--       0.701                  0.339                  0.712
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.00   0.01   0.00     0.01  -0.03  -0.00     0.02  -0.05  -0.01
     2   6    -0.02  -0.03  -0.00    -0.02  -0.03  -0.00    -0.02  -0.02  -0.00
     3   6     0.00   0.00   0.00    -0.00   0.00   0.00     0.00   0.00   0.00
     4   6     0.02  -0.06  -0.01    -0.01   0.04   0.00     0.01  -0.03  -0.00
     5   6     0.02   0.03   0.00     0.01   0.01   0.00    -0.03  -0.04  -0.00
     6   6    -0.01   0.00   0.00    -0.05   0.01   0.00     0.01   0.00   0.00
     7   6     0.00  -0.00  -0.00    -0.00   0.00   0.00     0.00  -0.00  -0.00
     8   7    -0.00   0.00   0.00     0.00  -0.00   0.00    -0.00   0.00   0.00
     9   6     0.00  -0.00  -0.00     0.00  -0.00  -0.00     0.00  -0.00  -0.00
    10   1     0.00  -0.00   0.00     0.00  -0.00   0.00     0.00  -0.00   0.00
    11   1    -0.00   0.02   0.00     0.00  -0.01  -0.00    -0.00   0.01   0.00
    12   1    -0.00   0.03   0.01    -0.00   0.02   0.00    -0.00   0.01   0.00
    13   1     0.00   0.00   0.01     0.00   0.00   0.00     0.00   0.00   0.00
    14   1    -0.01   0.00  -0.00     0.00   0.00  -0.00    -0.00   0.00  -0.00
    15   1    -0.26   0.67   0.06     0.17  -0.44  -0.04    -0.13   0.34   0.03
    16   1    -0.30  -0.38  -0.04    -0.14  -0.17  -0.02     0.38   0.48   0.05
    17   1     0.16  -0.02  -0.00     0.63  -0.09  -0.01    -0.07   0.01   0.00
    18   1     0.05  -0.13  -0.01    -0.13   0.33   0.03    -0.23   0.57   0.06
    19   1     0.27   0.34   0.03     0.26   0.34   0.03     0.19   0.24   0.02
    20   1    -0.00   0.00   0.00    -0.00   0.00   0.00    -0.00   0.00   0.00
                     52                     53                     54
                      A                      A                      A
 Frequencies --   3194.4313              3472.0778              3551.7595
 Red. masses --      1.0975                 1.0482                 1.0931
 Frc consts  --      6.5987                 7.4452                 8.1242
 IR Inten    --     14.2345                 1.8000                 0.3018
 RamAct Fr= 1--    303.9373               187.3962                66.3679
  Dep-P Fr= 1--      0.1022                 0.1354                 0.6523
  Dep-U Fr= 1--      0.1855                 0.2385                 0.7896
 Alpha2 Fr= 1--      5.2926                 3.0054                 0.1163
 Beta2  Fr= 1--      9.3960                 7.4503                 8.7335
 AlphaG Fr= 1--      0.0406                -0.2746                 0.2154
 Gamma2 Fr= 1--      0.7883                -1.6158                 3.6916
 Delta2 Fr= 1--      0.1116                -6.1749                 3.0985
 Raman1 Fr= 1--    1215.749                749.585                265.471
 ROA1   Fr= 1--      79.249               -352.718                453.542
 CID1   Fr= 1--       0.065                 -0.471                  1.708
 Raman2 Fr= 1--     112.752                 89.403                104.802
 ROA2   Fr= 1--      18.026                 10.619                 63.810
 CID2   Fr= 1--       0.160                  0.119                  0.609
 Raman3 Fr= 1--     225.505                178.806                209.603
 ROA3   Fr= 1--      79.249               -352.718                453.542
 CID3   Fr= 1--       0.351                 -1.973                  2.164
 RC180  Fr= 1--      -0.629                 -0.523                  0.579
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.01   0.04   0.00    -0.00  -0.00  -0.00    -0.00   0.00   0.00
     2   6     0.01   0.01   0.00    -0.00  -0.00   0.00    -0.00   0.00   0.00
     3   6     0.00  -0.00  -0.00     0.00  -0.00  -0.00    -0.00   0.00   0.00
     4   6     0.01  -0.02  -0.00    -0.00   0.00  -0.00    -0.00  -0.00   0.00
     5   6    -0.03  -0.04  -0.00     0.00   0.00   0.00     0.00  -0.00  -0.00
     6   6    -0.06   0.01   0.00    -0.00   0.00  -0.00     0.00   0.00   0.00
     7   6     0.00  -0.00  -0.00    -0.00  -0.00   0.00     0.00  -0.00  -0.00
     8   7    -0.00   0.00  -0.00    -0.04  -0.04  -0.02     0.06  -0.05  -0.02
     9   6     0.00   0.00   0.00     0.00   0.00   0.00    -0.00   0.00  -0.00
    10   1     0.00   0.00   0.00    -0.20   0.59   0.23    -0.19   0.68   0.25
    11   1    -0.00   0.00   0.00    -0.00   0.01   0.00    -0.00   0.01   0.00
    12   1     0.00  -0.00  -0.00     0.00   0.00  -0.00     0.00   0.00  -0.00
    13   1    -0.00  -0.00  -0.00     0.00   0.00   0.00    -0.00   0.00   0.00
    14   1    -0.00   0.00   0.00     0.00   0.00  -0.00    -0.00  -0.00   0.00
    15   1    -0.07   0.18   0.02     0.00  -0.00  -0.00    -0.00   0.00   0.00
    16   1     0.31   0.40   0.04    -0.00  -0.00  -0.00     0.00   0.00  -0.00
    17   1     0.67  -0.10  -0.01    -0.00   0.00  -0.00     0.00  -0.00  -0.00
    18   1     0.16  -0.42  -0.04    -0.00   0.00   0.00     0.00  -0.00   0.00
    19   1    -0.10  -0.13  -0.01     0.00   0.00   0.00     0.00  -0.00   0.00
    20   1     0.00  -0.00  -0.00     0.74  -0.07  -0.00    -0.66   0.03   0.00

 -------------------
 - Thermochemistry -
 -------------------
 Temperature   298.150 Kelvin.  Pressure   1.00000 Atm.
 Atom     1 has atomic number  6 and mass  12.00000
 Atom     2 has atomic number  6 and mass  12.00000
 Atom     3 has atomic number  6 and mass  12.00000
 Atom     4 has atomic number  6 and mass  12.00000
 Atom     5 has atomic number  6 and mass  12.00000
 Atom     6 has atomic number  6 and mass  12.00000
 Atom     7 has atomic number  6 and mass  12.00000
 Atom     8 has atomic number  7 and mass  14.00307
 Atom     9 has atomic number  6 and mass  12.00000
 Atom    10 has atomic number  1 and mass   1.00783
 Atom    11 has atomic number  1 and mass   1.00783
 Atom    12 has atomic number  1 and mass   1.00783
 Atom    13 has atomic number  1 and mass   1.00783
 Atom    14 has atomic number  1 and mass   1.00783
 Atom    15 has atomic number  1 and mass   1.00783
 Atom    16 has atomic number  1 and mass   1.00783
 Atom    17 has atomic number  1 and mass   1.00783
 Atom    18 has atomic number  1 and mass   1.00783
 Atom    19 has atomic number  1 and mass   1.00783
 Atom    20 has atomic number  1 and mass   1.00783
 Molecular mass:   121.08915 amu.
 Principal axes and moments of inertia in atomic units:
                           1         2         3
     Eigenvalues --   527.103851650.114751809.83533
           X            0.99992   0.00795  -0.00954
           Y           -0.00774   0.99972   0.02235
           Z            0.00972  -0.02227   0.99970
 This molecule is an asymmetric top.
 Rotational symmetry number  1.
 Warning -- assumption of classical behavior for rotation
           may cause significant error
 Rotational temperatures (Kelvin)      0.16432     0.05249     0.04786
 Rotational constants (GHZ):           3.42388     1.09371     0.99719
 Zero-point vibrational energy     455246.6 (Joules/Mol)
                                  108.80656 (Kcal/Mol)
 Warning -- explicit consideration of  11 degrees of freedom as
           vibrations may cause significant error
 Vibrational temperatures:     39.97   185.28   282.40   345.89   374.44
          (Kelvin)            463.64   477.02   595.99   693.39   789.13
                              855.14   919.45  1024.54  1102.36  1124.57
                             1209.71  1227.07  1313.44  1334.69  1376.63
                             1402.66  1456.08  1477.12  1517.93  1545.40
                             1601.13  1614.07  1704.70  1726.79  1737.57
                             1776.33  1916.83  1952.17  1980.05  2023.77
                             2032.55  2144.37  2148.98  2152.88  2210.72
                             2346.05  2370.73  2381.30  4351.98  4354.39
                             4441.85  4453.47  4547.69  4553.50  4567.80
                             4579.75  4596.07  4995.55  5110.19
 
 Zero-point correction=                           0.173394 (Hartree/Particle)
 Thermal correction to Energy=                    0.182034
 Thermal correction to Enthalpy=                  0.182978
 Thermal correction to Gibbs Free Energy=         0.139457
 Sum of electronic and zero-point Energies=           -366.225081
 Sum of electronic and thermal Energies=              -366.216441
 Sum of electronic and thermal Enthalpies=            -366.215497
 Sum of electronic and thermal Free Energies=         -366.259018
 
                     E (Thermal)             CV                S
                      KCal/Mol        Cal/Mol-Kelvin    Cal/Mol-Kelvin
 Total                  114.228             33.154             91.598
 Electronic               0.000              0.000              0.000
 Translational            0.889              2.981             40.288
 Rotational               0.889              2.981             28.844
 Vibrational            112.451             27.193             22.465
 Vibration     1          0.593              1.984              5.982
 Vibration     2          0.611              1.924              2.964
 Vibration     3          0.636              1.845              2.168
 Vibration     4          0.657              1.779              1.800
 Vibration     5          0.668              1.745              1.660
 Vibration     6          0.707              1.631              1.299
 Vibration     7          0.714              1.613              1.253
 Vibration     8          0.778              1.439              0.912
 Vibration     9          0.838              1.290              0.705
 Vibration    10          0.904              1.143              0.547
 Vibration    11          0.952              1.044              0.459
                       Q            Log10(Q)             Ln(Q)
 Total Bot       0.714652D-64        -64.145906       -147.701406
 Total V=0       0.407247D+16         15.609858         35.943026
 Vib (Bot)       0.303817D-77        -77.517388       -178.490381
 Vib (Bot)    1  0.745469D+01          0.872430          2.008843
 Vib (Bot)    2  0.158356D+01          0.199636          0.459678
 Vib (Bot)    3  0.101733D+01          0.007460          0.017178
 Vib (Bot)    4  0.815480D+00         -0.088587         -0.203979
 Vib (Bot)    5  0.746231D+00         -0.127127         -0.292720
 Vib (Bot)    6  0.582564D+00         -0.234656         -0.540316
 Vib (Bot)    7  0.563024D+00         -0.249473         -0.574433
 Vib (Bot)    8  0.425748D+00         -0.370847         -0.853907
 Vib (Bot)    9  0.346459D+00         -0.460348         -1.059990
 Vib (Bot)   10  0.286543D+00         -0.542810         -1.249867
 Vib (Bot)   11  0.252688D+00         -0.597416         -1.375600
 Vib (V=0)       0.173131D+03          2.238376          5.154051
 Vib (V=0)    1  0.797144D+01          0.901537          2.075865
 Vib (V=0)    2  0.216062D+01          0.334579          0.770397
 Vib (V=0)    3  0.163356D+01          0.213134          0.490760
 Vib (V=0)    4  0.145656D+01          0.163328          0.376077
 Vib (V=0)    5  0.139825D+01          0.145586          0.335224
 Vib (V=0)    6  0.126771D+01          0.103020          0.237213
 Vib (V=0)    7  0.125299D+01          0.097948          0.225534
 Vib (V=0)    8  0.115670D+01          0.063223          0.145575
 Vib (V=0)    9  0.110830D+01          0.044659          0.102831
 Vib (V=0)   10  0.107629D+01          0.031928          0.073517
 Vib (V=0)   11  0.106022D+01          0.025398          0.058480
 Electronic      0.100000D+01          0.000000          0.000000
 Translational   0.523735D+08          7.719112         17.773912
 Rotational      0.449128D+06          5.652370         13.015064
 
                                                          ROA calculations.
                                                             IR Spectrum
 
     3  3      33333 3333                                               111 1111 11111 1111111111                                    
     5  4      11111 0000                                               666 5444 44333 2221110000999988 77 7  65 5 4  4 33 221  1    
     5  7      98766 9822                                               543 3999 10753 3008217521752154 86 1  39 4 8  1 32 649  2   2
     2  2      43551 5765                                               581 7640 37672 5805234572578331 26 2  94 8 2  4 22 006  9   8
 
     X  X      XXXXX XXXX                                               XXX XXXX XXXXX X XXXXXXXXX XXXX XX X   X X X    XX XXX  X   X
               XX    XXXX                                               XX       X           X      X X XX X                XX       
                X    XXXX                                               X                    X        X X  X                 X       
                X    XX X                                               X                             X X  X                 X       
                X    XX                                                                               X X  X                 X       
                      X                                                                               X X  X                         
                                                                                                      X                              
                                                                                                      X                              
                                                                                                      X                              
                                                                                                      X                              
                                                                                                      X                              
                                                                                                      X                              
                                                                                                      X                              
                                                                                                      X                              
                                                                                                      X                              
                                                                                                      X                              
                                                                                                      X                              
                                                                                                      X                              
                                                                                                      X                              
                                                                                                      X                              
 
 ***** Axes restored to original set *****
 -------------------------------------------------------------------
 Center     Atomic                   Forces (Hartrees/Bohr)
 Number     Number              X              Y              Z
 -------------------------------------------------------------------
      1        6           0.000017300   -0.000000289    0.000001873
      2        6          -0.000011025    0.000013233   -0.000000966
      3        6           0.000002585   -0.000010336    0.000003593
      4        6           0.000019614    0.000004904    0.000001834
      5        6          -0.000012046    0.000013336    0.000000431
      6        6           0.000000729   -0.000017672   -0.000002444
      7        6          -0.000029352   -0.000016342   -0.000045414
      8        7           0.000010797    0.000003096    0.000040991
      9        6           0.000008579    0.000013081   -0.000003002
     10        1          -0.000000687    0.000003612   -0.000004408
     11        1           0.000001136    0.000003045    0.000007036
     12        1          -0.000002455   -0.000004821    0.000005252
     13        1           0.000000921   -0.000001690    0.000000937
     14        1          -0.000004859   -0.000001742   -0.000000058
     15        1          -0.000002159    0.000001207   -0.000001350
     16        1           0.000001835   -0.000001348    0.000002037
     17        1           0.000001652    0.000002041    0.000001343
     18        1          -0.000002639   -0.000000966   -0.000002100
     19        1          -0.000001664   -0.000002889    0.000001087
     20        1           0.000001738    0.000000539   -0.000006673
 -------------------------------------------------------------------
 Cartesian Forces:  Max     0.000045414 RMS     0.000011039
 End of FrcOut F.D. properties on file   721 Mask=       B NFrqRd=     1 NDeriv=     1 ND12= 1 LenFil=      39:
 Frequencies=    0.085645
 Property number 1 -- Alpha(-w,w) frequency  1    0.085645:
                 1             2             3 
      1   0.134967D+03  0.848765D+00 -0.701644D+00
      2   0.848765D+00  0.108808D+03  0.231011D+01
      3  -0.701644D+00  0.231011D+01  0.797943D+02
 Property number 2 -- FD Optical Rotation Tensor frequency  1    0.085645:
                 1             2             3 
      1   0.129053D+01 -0.190049D+01 -0.878917D+00
      2   0.234247D+01 -0.778321D+01  0.172604D+02
      3  -0.502940D+01  0.359948D+02  0.692686D+01
 Property number 4 -- D-Q polarizability frequency  1    0.085645:
                 1             2             3 
      1  -0.652593D+02  0.183449D+01  0.413280D+01
      2   0.148297D+02  0.387421D+01  0.504077D+01
      3   0.504296D+02 -0.570869D+01 -0.917357D+01
      4   0.969864D+01 -0.746193D+02 -0.176209D+02
      5  -0.900180D+01 -0.169723D+02  0.481751D+02
      6  -0.560348D+01 -0.582539D+01  0.244750D+01
 End of FrcOut F.D. properties on file   722 Mask=       B NFrqRd=     1 NDeriv=    60 ND12= 1 LenFil=    2163:
 Frequencies=    0.085645
 Property number 1 -- Alpha(-w,w) derivatives, frequency  1    0.085645:
                 1             2             3             4             5 
      1   0.365192D+01 -0.710246D+00 -0.175989D+00  0.549436D+01 -0.472905D+00
      2  -0.710246D+00 -0.229325D+01 -0.640132D-01 -0.472905D+00  0.165853D+01
      3  -0.175989D+00 -0.640132D-01 -0.104733D+01  0.162617D+00 -0.544134D+00
                 6             7             8             9            10 
      1   0.162617D+00  0.687717D+00  0.229322D+00 -0.200053D+01 -0.286344D+01
      2  -0.544134D+00  0.229322D+00 -0.679630D+00  0.426030D+01 -0.758446D+00
      3   0.274747D+01 -0.200053D+01  0.426030D+01  0.130558D+01  0.537571D-01
                11            12            13            14            15 
      1  -0.758446D+00  0.537571D-01  0.810938D+01  0.311681D+00 -0.670289D-01
      2   0.399823D+01  0.220369D+00  0.311681D+00  0.107745D+01 -0.293261D+00
      3   0.220369D+00  0.210122D+01 -0.670289D-01 -0.293261D+00  0.148910D+01
                16            17            18            19            20 
      1   0.852019D+00 -0.498636D-01  0.176383D+01  0.156448D+02 -0.136351D+01
      2  -0.498636D-01 -0.558163D+00  0.326764D+01 -0.136351D+01  0.259485D+01
      3   0.176383D+01  0.326764D+01  0.837149D+00  0.568202D-01  0.223381D+00
                21            22            23            24            25 
      1   0.568202D-01 -0.258166D+01 -0.174294D+01 -0.878086D+00 -0.421146D+00
      2   0.223381D+00 -0.174294D+01 -0.698470D+00 -0.179337D+00 -0.636578D+00
      3   0.190277D+01 -0.878086D+00 -0.179337D+00  0.419709D+00  0.427818D+01
                26            27            28            29            30 
      1  -0.636578D+00  0.427818D+01 -0.435342D+01  0.266407D+01  0.209382D+00
      2  -0.382863D-01 -0.320537D+00  0.266407D+01  0.291564D+01  0.100335D+00
      3  -0.320537D+00  0.160400D-01  0.209382D+00  0.100335D+00  0.157315D+01
                31            32            33            34            35 
      1  -0.655011D+01  0.170974D+00 -0.152620D-01 -0.745362D+00 -0.196555D+00
      2   0.170974D+00 -0.178406D+01  0.311504D+00 -0.196555D+00  0.568790D+00
      3  -0.152620D-01  0.311504D+00 -0.232308D+01  0.122564D+01 -0.404170D+01
                36            37            38            39            40 
      1   0.122564D+01  0.184440D+01 -0.661506D+00 -0.242384D-02 -0.602041D+01
      2  -0.404170D+01 -0.661506D+00 -0.389951D+01 -0.367707D+00  0.655300D+00
      3  -0.120549D+01 -0.242384D-02 -0.367707D+00 -0.177252D+01  0.291737D+00
                41            42            43            44            45 
      1   0.655300D+00  0.291737D+00 -0.819848D+00  0.336278D+00 -0.321186D+01
      2  -0.379294D+00  0.625431D+00  0.336278D+00  0.694014D+00 -0.364418D+01
      3   0.625431D+00 -0.231464D+01 -0.321186D+01 -0.364418D+01 -0.970716D+00
                46            47            48            49            50 
      1  -0.600465D+01  0.254705D+00  0.712985D-02  0.956905D+00  0.121926D+01
      2   0.254705D+00 -0.347960D+01 -0.455757D-01  0.121926D+01 -0.485688D+00
      3   0.712985D-02 -0.455757D-01 -0.325178D+01  0.818792D+00 -0.248133D+00
                51            52            53            54            55 
      1   0.818792D+00  0.242986D-01  0.705369D+00 -0.567068D+01 -0.199777D+01
      2  -0.248133D+00  0.705369D+00 -0.150482D+00  0.683164D+00 -0.644753D+00
      3   0.473325D+00 -0.567068D+01  0.683164D+00  0.277861D+00  0.227770D+00
                56            57            58            59            60 
      1  -0.644753D+00  0.227770D+00 -0.233324D+01 -0.129330D+01  0.155860D+01
      2  -0.740297D+00  0.144655D+01 -0.129330D+01  0.583642D+01  0.296769D+01
      3   0.144655D+01 -0.443449D+01  0.155860D+01  0.296769D+01 -0.325672D+01
                61            62            63            64            65 
      1  -0.466848D+00  0.118327D+01 -0.610511D+01 -0.833507D+01 -0.162623D-02
      2   0.118327D+01  0.234779D+01 -0.761521D+00 -0.162623D-02  0.101345D+01
      3  -0.610511D+01 -0.761521D+00  0.181012D+00 -0.889589D-01 -0.626559D+00
                66            67            68            69            70 
      1  -0.889589D-01  0.273742D+00  0.122793D+01 -0.969553D+00  0.295951D+01
      2  -0.626559D+00  0.122793D+01 -0.386990D+01 -0.123277D+01 -0.895296D+00
      3   0.153911D+01 -0.969553D+00 -0.123277D+01  0.621326D-02  0.354210D+01
                71            72            73            74            75 
      1  -0.895296D+00  0.354210D+01 -0.882275D+01  0.196814D+01  0.198090D+00
      2  -0.206948D+01 -0.998271D+00  0.196814D+01  0.113708D+01 -0.929053D+00
      3  -0.998271D+00  0.408358D+01  0.198090D+00 -0.929053D+00  0.497429D+01
                76            77            78            79            80 
      1   0.458726D+01  0.904484D+00 -0.138099D+01 -0.264773D+01 -0.130819D+01
      2   0.904484D+00 -0.474609D+01 -0.185527D+01 -0.130819D+01 -0.182215D+01
      3  -0.138099D+01 -0.185527D+01  0.367699D+01  0.429317D+01  0.197161D+01
                81            82            83            84            85 
      1   0.429317D+01 -0.690372D+00  0.473013D+00 -0.416183D-01  0.204782D+01
      2   0.197161D+01  0.473013D+00 -0.111382D+01 -0.235612D+00 -0.376124D-01
      3   0.368877D+01 -0.416183D-01 -0.235612D+00 -0.876089D+00  0.435963D+00
                86            87            88            89            90 
      1  -0.376124D-01  0.435963D+00  0.748386D+00  0.245070D+00  0.291448D+00
      2   0.408025D+01  0.239354D+01  0.245070D+00  0.256382D+01  0.955951D+00
      3   0.239354D+01  0.209254D+01  0.291448D+00  0.955951D+00  0.220482D+01
                91            92            93            94            95 
      1   0.861917D-01 -0.118351D+01 -0.388005D+00 -0.246798D+01  0.178094D+01
      2  -0.118351D+01  0.123372D+01  0.104729D+00  0.178094D+01 -0.694614D+01
      3  -0.388005D+00  0.104729D+00  0.892656D+00  0.576119D-01 -0.136805D+01
                96            97            98            99           100 
      1   0.576119D-01 -0.450204D+00  0.167824D+00  0.914904D+00  0.654854D+00
      2  -0.136805D+01  0.167824D+00 -0.129389D+01 -0.118133D+01  0.575317D+00
      3  -0.141588D+01  0.914904D+00 -0.118133D+01 -0.781616D+00  0.928283D-01
               101           102           103           104           105 
      1   0.575317D+00  0.928283D-01  0.188568D+01  0.666064D+00 -0.343507D+00
      2  -0.137475D+00  0.167659D+00  0.666064D+00  0.661736D+01 -0.198690D+00
      3   0.167659D+00 -0.582568D+00 -0.343507D+00 -0.198690D+00  0.143027D+01
               106           107           108           109           110 
      1   0.712925D+00  0.293311D+00 -0.333136D+00 -0.162626D+00 -0.331164D+00
      2   0.293311D+00  0.881265D+00  0.625880D+00 -0.331164D+00 -0.500181D+00
      3  -0.333136D+00  0.625880D+00 -0.242682D+00 -0.966357D+00  0.519666D-01
               111           112           113           114           115 
      1  -0.966357D+00 -0.803888D+00 -0.133965D+00  0.155674D+00 -0.153022D+01
      2   0.519666D-01 -0.133965D+00 -0.138756D+00 -0.930608D+00 -0.126612D+00
      3  -0.288560D+01  0.155674D+00 -0.930608D+00 -0.170433D+01 -0.525461D+00
               116           117           118           119           120 
      1  -0.126612D+00 -0.525461D+00  0.127375D+02 -0.720480D+00 -0.202936D+01
      2  -0.106416D+01 -0.356926D+00 -0.720480D+00  0.103516D+01 -0.163818D-01
      3  -0.356926D+00 -0.943818D+01 -0.202936D+01 -0.163818D-01  0.140747D+01
               121           122           123           124           125 
      1  -0.236000D+01  0.113787D+01  0.536114D+00 -0.764803D-01  0.214031D+00
      2   0.113787D+01 -0.870232D-01 -0.851356D-01  0.214031D+00  0.210600D+00
      3   0.536114D+00 -0.851356D-01 -0.866000D+00  0.927065D+00 -0.250659D+00
               126           127           128           129           130 
      1   0.927065D+00  0.151403D+01 -0.179897D+01 -0.163748D+00 -0.155156D+01
      2  -0.250659D+00 -0.179897D+01  0.226076D+01  0.204414D+00  0.205561D+01
      3  -0.764719D+00 -0.163748D+00  0.204414D+00  0.150153D+00  0.217406D+00
               131           132           133           134           135 
      1   0.205561D+01  0.217406D+00 -0.648016D-01  0.232808D+00 -0.482491D-01
      2  -0.888364D+01 -0.720738D+00  0.232808D+00 -0.802499D+00 -0.918357D-01
      3  -0.720738D+00 -0.850901D+00 -0.482491D-01 -0.918357D-01 -0.309874D-01
               136           137           138           139           140 
      1  -0.493189D+01 -0.386242D+01 -0.363405D+00 -0.377812D+01 -0.449637D+01
      2  -0.386242D+01 -0.353522D+01 -0.282913D+00 -0.449637D+01 -0.658224D+01
      3  -0.363405D+00 -0.282913D+00 -0.519742D+00 -0.417814D+00 -0.549918D+00
               141           142           143           144           145 
      1  -0.417814D+00 -0.294307D+00 -0.407444D+00 -0.246886D-01 -0.128986D+02
      2  -0.549918D+00 -0.407444D+00 -0.625864D+00  0.464615D-02  0.147406D+01
      3  -0.716609D+00 -0.246886D-01  0.464615D-02 -0.374115D-01  0.236717D+00
               146           147           148           149           150 
      1   0.147406D+01  0.236717D+00  0.150776D+01 -0.172745D+01 -0.202843D+00
      2  -0.893044D+00 -0.195313D-01 -0.172745D+01  0.529092D+00  0.493246D-01
      3  -0.195313D-01 -0.804926D+00 -0.202843D+00  0.493246D-01  0.131580D+00
               151           152           153           154           155 
      1   0.206040D+00 -0.216961D+00  0.188341D+00 -0.214271D+01  0.255224D+01
      2  -0.216961D+00  0.508636D-01  0.484809D-02  0.255224D+01 -0.281337D+01
      3   0.188341D+00  0.484809D-02  0.222686D-01  0.275165D+00 -0.279114D+00
               156           157           158           159           160 
      1   0.275165D+00  0.223732D+01 -0.380044D+01 -0.412292D+00  0.270038D+00
      2  -0.279114D+00 -0.380044D+01  0.959795D+01  0.945177D+00 -0.416748D+00
      3  -0.325412D+00 -0.412292D+00  0.945177D+00  0.859471D+00 -0.312566D-02
               161           162           163           164           165 
      1  -0.416748D+00 -0.312566D-02  0.336872D+01  0.229630D+01  0.131283D+00
      2   0.103937D+01  0.321182D-01  0.229630D+01  0.234414D+01  0.177221D+00
      3   0.321182D-01  0.592177D-01  0.131283D+00  0.177221D+00  0.283573D+00
               166           167           168           169           170 
      1   0.262542D+01  0.290323D+01  0.236751D+00  0.603269D-01  0.207293D+00
      2   0.290323D+01  0.560875D+01  0.433728D+00  0.207293D+00  0.495292D+00
      3   0.236751D+00  0.433728D+00  0.735900D+00 -0.961598D-01  0.365912D-01
               171           172           173           174           175 
      1  -0.961598D-01  0.137009D+02 -0.221216D+00  0.273092D+01 -0.127869D+01
      2   0.365912D-01 -0.221216D+00  0.872747D+00  0.169836D+00  0.671639D+00
      3  -0.579447D-02  0.273092D+01  0.169836D+00  0.167607D+01  0.216109D+00
               176           177           178           179           180 
      1   0.671639D+00  0.216109D+00  0.995676D+00  0.439664D+00  0.594324D+00
      2  -0.404491D+00  0.479656D+00  0.439664D+00  0.252808D+00 -0.195780D+00
      3   0.479656D+00 -0.614408D+00  0.594324D+00 -0.195780D+00  0.801302D+00
 Property number 2 -- FD Optical Rotation Tensor derivatives, frequency  1    0.085645:
                 1             2             3             4             5 
      1   0.268054D+00 -0.114233D+00  0.222643D+01 -0.489841D+00  0.238029D+00
      2   0.505018D+00  0.146929D+01 -0.251796D+00  0.525074D+00  0.153555D+01
      3  -0.430307D+01 -0.141140D+02 -0.154265D+01  0.365379D+01  0.807038D+00
                 6             7             8             9            10 
      1  -0.404276D+01  0.500704D+01  0.502701D+00 -0.562469D+00 -0.746054D+00
      2  -0.646899D+01 -0.850456D+01 -0.990986D+01 -0.223938D+01 -0.423011D+00
      3  -0.113304D+01  0.305604D-02 -0.155130D+01  0.541995D+01  0.532367D+00
                11            12            13            14            15 
      1   0.146992D+00 -0.345378D+01  0.452940D+00 -0.165442D+00 -0.207914D+01
      2   0.621098D-01 -0.153347D+01  0.108788D+01 -0.462230D+00 -0.111786D+01
      3   0.115492D+01  0.387881D+00  0.909136D+00  0.581312D+01 -0.439326D-01
                16            17            18            19            20 
      1  -0.695161D+01  0.317433D+01 -0.814540D-02  0.419713D+00 -0.166770D-01
      2  -0.130131D+02 -0.846136D-01 -0.374113D+00  0.632627D+00 -0.409635D+00
      3  -0.117495D+01  0.140154D+00  0.594220D+01 -0.317599D+01  0.657215D+01
                21            22            23            24            25 
      1   0.357572D-01  0.538689D+00 -0.112902D+01  0.176722D+01  0.110541D+01
      2  -0.237436D+01 -0.630812D+00 -0.788503D+00  0.127527D+01 -0.151623D+02
      3   0.421171D+00  0.153438D+02 -0.671115D+00  0.111400D+01 -0.692563D-01
                26            27            28            29            30 
      1   0.103907D+02  0.113338D+01 -0.156903D+00 -0.225881D+00  0.255307D+01
      2   0.230688D-01 -0.452691D+00 -0.897329D+00  0.301502D+00 -0.129536D+01
      3   0.823946D+00 -0.181494D+01  0.690615D+01 -0.456882D+01 -0.574400D+00
                31            32            33            34            35 
      1  -0.860412D+00  0.185215D+00 -0.310002D+01  0.422543D+01  0.251504D+00
      2   0.133160D+01  0.725587D+00  0.155308D+01 -0.137301D+02  0.202037D+01
      3   0.506092D+01 -0.640252D+01 -0.403241D+00 -0.932877D+00 -0.269203D+00
                36            37            38            39            40 
      1  -0.433160D+00  0.806267D-02  0.133477D+00 -0.312453D+01  0.776065D+00
      2   0.108368D+01  0.192287D+00  0.895806D+00  0.231574D+01 -0.293204D+00
      3  -0.537261D+01 -0.423975D+01 -0.100803D+02 -0.898043D+00  0.681889D+01
                41            42            43            44            45 
      1  -0.150298D-02 -0.211844D+01 -0.693597D+01  0.404587D+01  0.226234D+00
      2  -0.176545D+01  0.753455D+01 -0.325430D+01  0.105892D+02  0.242221D+01
      3  -0.147033D+01  0.116198D+01  0.555322D+00  0.133052D+01 -0.491508D+01
                46            47            48            49            50 
      1   0.548032D-01 -0.265266D-03  0.120399D+01 -0.181658D+00 -0.177787D+01
      2  -0.380972D+00 -0.284261D+00  0.918333D+01 -0.235416D+01  0.177245D+00
      3   0.321082D+01 -0.706327D+01  0.283706D+00  0.127308D+02  0.244705D+01
                51            52            53            54            55 
      1   0.310496D+01  0.227584D+01  0.113677D+02  0.158451D+01 -0.111556D+00
      2  -0.200846D+01  0.857934D+01 -0.252144D+01 -0.728929D+00  0.735997D+00
      3  -0.226993D+00  0.210690D+01 -0.211879D+00  0.135523D+01  0.491506D+01
                56            57            58            59            60 
      1  -0.948825D+00  0.764522D+00  0.559355D+00 -0.447863D+00 -0.527140D+01
      2   0.209805D+01 -0.520588D+01  0.139737D+01  0.615366D+01 -0.646021D+01
      3   0.285518D+01 -0.248832D+01  0.968580D+01 -0.130230D+02 -0.827648D+01
                61            62            63            64            65 
      1  -0.194622D+01 -0.122551D+01  0.768753D+00 -0.135281D+01  0.360472D+01
      2  -0.141897D+02  0.606200D-01 -0.275052D+01  0.165336D+02 -0.841020D+00
      3  -0.302309D+00 -0.610560D+01  0.482244D+01  0.306107D+01 -0.751897D+01
                66            67            68            69            70 
      1  -0.174715D+01  0.508878D+00 -0.935248D+01 -0.828940D+01  0.559735D+00
      2   0.102596D+02  0.474819D+00 -0.575645D+01  0.936557D+00  0.254856D+01
      3   0.817243D+00 -0.620336D+00  0.108683D+02  0.567236D+01 -0.113516D+01
                71            72            73            74            75 
      1   0.101418D+01  0.248553D+01 -0.311938D+01 -0.193092D+01 -0.136933D+01
      2  -0.225570D+01  0.748506D+01 -0.107396D+02  0.294232D+00  0.156626D+02
      3   0.638370D+01  0.875872D+00 -0.117744D+02 -0.605042D+01  0.360212D+01
                76            77            78            79            80 
      1  -0.984642D-01  0.825616D+01 -0.119790D+01 -0.576249D-01  0.358261D+01
      2   0.305312D+00 -0.330776D+01  0.697977D+01  0.673580D+01  0.353601D+01
      3  -0.688561D+00  0.163232D+02  0.486567D+01  0.416199D+01  0.444152D+01
                81            82            83            84            85 
      1  -0.870161D+01  0.206381D+01 -0.279545D+01  0.582012D+00 -0.981296D+00
      2   0.187428D+02  0.245201D+01 -0.141851D+01 -0.136209D+01 -0.280131D+01
      3  -0.471768D+01 -0.317442D+01  0.385299D+01  0.207734D+00  0.366275D+01
                86            87            88            89            90 
      1   0.104382D+02  0.284296D+01  0.452797D+00  0.588072D+01  0.146057D+01
      2   0.668882D+01  0.486798D+01 -0.661663D+00  0.186745D+01  0.402480D+01
      3  -0.103930D+02 -0.651793D+01 -0.891959D+00 -0.637334D+01 -0.248340D+01
                91            92            93            94            95 
      1   0.419318D+00 -0.238036D+00  0.754065D+00  0.488290D-01  0.140418D+01
      2  -0.100022D+01  0.168778D+00  0.234705D+01 -0.464323D+00 -0.284083D+01
      3   0.340074D+01 -0.300539D+01 -0.107990D+00  0.259800D+01  0.139855D+02
                96            97            98            99           100 
      1  -0.272971D+01  0.760813D+00  0.151966D+01 -0.528574D+00 -0.128322D+01
      2  -0.297291D+01 -0.259721D+00 -0.196825D+01 -0.107301D+01  0.414993D+00
      3   0.303952D+01  0.429702D+00  0.295121D+01  0.171109D+01 -0.283911D+01
               101           102           103           104           105 
      1   0.371970D+00  0.525028D+00  0.186633D+00 -0.103342D+02 -0.339806D+01
      2   0.744456D+00 -0.790713D+00  0.113848D+01  0.303547D+00  0.318135D+01
      3   0.104448D+01  0.157642D+00  0.355602D+01 -0.190719D+02 -0.503498D+00
               106           107           108           109           110 
      1   0.156348D+00 -0.299676D+00 -0.963880D+00  0.975126D+00  0.176206D+01
      2  -0.128704D+01  0.133258D+01 -0.744456D+00 -0.422336D+01 -0.468847D+00
      3   0.822663D+00 -0.302234D+01 -0.207252D+01  0.966824D+00  0.911379D+00
               111           112           113           114           115 
      1   0.137983D+01  0.906877D+00  0.449293D+00  0.116184D+01  0.868317D+00
      2  -0.801818D+01 -0.126881D+01 -0.217137D+01 -0.417810D+01 -0.711098D+01
      3  -0.555032D+00  0.151890D+01  0.137606D+00  0.184261D+01 -0.561366D+00
               116           117           118           119           120 
      1   0.465415D+01  0.466599D+01  0.154425D+01 -0.215877D+01 -0.261073D+00
      2  -0.145396D+01 -0.243021D+02  0.100531D+02 -0.122543D+01  0.520504D+01
      3   0.208517D+01  0.360214D+00  0.678429D+01 -0.711240D+01 -0.491353D+00
               121           122           123           124           125 
      1  -0.154257D+01  0.804171D-01 -0.678166D+00 -0.201377D+00  0.417365D+00
      2  -0.135326D+01  0.966459D+00 -0.214936D+01  0.442018D+00 -0.585450D+00
      3  -0.285726D+01  0.165392D+00  0.905988D-01 -0.104544D+01 -0.400234D-01
               126           127           128           129           130 
      1   0.563400D+00  0.247734D-01 -0.160657D+00  0.143637D+01  0.428899D-01
      2  -0.142414D+01  0.656055D+00 -0.447637D+00  0.371519D+00 -0.579246D+00
      3   0.104525D+01 -0.609783D+01  0.383062D+01  0.432126D+00  0.728923D+01
               131           132           133           134           135 
      1   0.351535D+00 -0.422565D+01 -0.489866D+00  0.218573D+01 -0.817138D-01
      2   0.100508D+01 -0.542360D+00 -0.138573D+01  0.106645D+00 -0.153542D+00
      3  -0.908857D+01 -0.959252D+00  0.644328D+00 -0.731888D+00  0.957054D-01
               136           137           138           139           140 
      1   0.600742D-01  0.268128D+00 -0.226732D+01 -0.746662D-01  0.232472D+00
      2   0.374206D-01  0.115827D+00  0.294051D+01  0.411312D+00  0.796732D+00
      3  -0.148868D+01 -0.493547D+01 -0.138524D+00 -0.349067D+01 -0.110863D+02
               141           142           143           144           145 
      1  -0.327303D+01  0.958206D+00  0.162389D+01 -0.183641D+00 -0.299227D-01
      2   0.319425D+01 -0.112753D+01 -0.808818D+00  0.139375D+00 -0.274718D+00
      3  -0.745963D+00 -0.371313D+00 -0.107132D+01  0.112937D+00  0.825684D+00
               146           147           148           149           150 
      1  -0.797114D-01  0.693200D+00  0.420273D-01 -0.165843D-01 -0.508471D+00
      2  -0.524428D-01  0.600313D+01  0.753761D+00 -0.129060D+00 -0.854790D+00
      3  -0.542374D+01  0.717644D-01 -0.389313D+01  0.173030D+01  0.124147D+00
               151           152           153           154           155 
      1  -0.465926D+00  0.534462D+00  0.585442D-02 -0.537018D-01 -0.917715D-01
      2  -0.324110D+01  0.253165D+00 -0.999719D-01 -0.122778D+00  0.139553D+00
      3  -0.885017D+00  0.245017D+00 -0.133556D+00  0.719241D+00 -0.269417D+01
               156           157           158           159           160 
      1   0.154830D+01  0.121752D+00  0.161176D+00 -0.443039D+01 -0.671324D+00
      2   0.146066D+01  0.238325D+00 -0.124631D+01 -0.269621D+01 -0.707451D+00
      3  -0.120190D+00 -0.117130D+01  0.140813D+02  0.119956D+01 -0.128217D+00
               161           162           163           164           165 
      1   0.200051D+01 -0.301384D+00  0.195225D+00  0.427227D+00 -0.226521D+01
      2   0.599340D+00 -0.196842D+00 -0.114880D+01 -0.325556D+00  0.916504D+00
      3   0.161855D+01  0.725273D-01  0.988318D+01  0.351069D+01  0.935606D-01
               166           167           168           169           170 
      1   0.141800D+00  0.595456D-01 -0.317341D+01  0.267826D+00  0.205633D+01
      2  -0.571103D+00 -0.594703D+00  0.156471D+01 -0.160409D+01 -0.143423D+00
      3   0.780927D+01  0.523397D+01  0.502911D+00 -0.159378D-01  0.456559D+00
               171           172           173           174           175 
      1  -0.107195D-02  0.820330D+00  0.204663D+01  0.785809D+00  0.252569D+00
      2   0.130716D+00 -0.133528D+02  0.338578D+00  0.406643D+01  0.265229D+01
      3  -0.142718D+00 -0.453644D+01 -0.557075D+01 -0.711927D+00 -0.429054D+00
               176           177           178           179           180 
      1   0.213966D+00 -0.261305D+00  0.150642D+01  0.728014D+00  0.249043D-01
      2   0.709984D+00 -0.163827D+01 -0.553402D+00 -0.107978D+01  0.860343D+00
      3   0.367832D-01 -0.115229D+01 -0.121017D+01 -0.109947D+01 -0.160920D+00
 Property number 4 -- D-Q polarizability derivatives, frequency  1    0.085645:
                 1             2             3             4             5 
      1   0.101289D+02  0.228432D+02  0.228189D+01 -0.219926D+02  0.113275D+02
      2  -0.986682D+01 -0.148368D+02 -0.397162D+00  0.204839D+02 -0.178366D+02
      3  -0.262063D+00 -0.800641D+01 -0.188472D+01  0.150872D+01  0.650910D+01
      4   0.180218D+02 -0.529997D+01 -0.600830D+00  0.135455D+02  0.311052D+01
      5   0.148762D+01 -0.155383D+00 -0.219503D+01 -0.198260D+00  0.343146D+01
      6  -0.158653D+01 -0.369816D+00 -0.489425D+01  0.266066D+01 -0.548835D+01
                 6             7             8             9            10 
      1   0.170671D+01 -0.240442D+01  0.146071D+01 -0.633634D+01 -0.127463D+01
      2  -0.355371D+01  0.364671D+01 -0.526959D+01 -0.259005D+01 -0.194260D+00
      3   0.184700D+01 -0.124229D+01  0.380888D+01  0.892639D+01  0.146889D+01
      4   0.336825D+01 -0.247901D+00  0.425272D+01 -0.165952D+02 -0.127137D+02
      5  -0.138058D+02  0.139331D+02 -0.167759D+02 -0.460833D+01 -0.748495D+00
      6   0.923727D+01 -0.719174D+01  0.178493D+02  0.189465D+01  0.346661D+00
                11            12            13            14            15 
      1  -0.191833D+02 -0.223237D+01  0.612850D+01  0.312048D+01  0.183648D+01
      2   0.139441D+02 -0.447179D+00 -0.162639D+02 -0.702841D+01 -0.170710D+01
      3   0.523921D+01  0.267954D+01  0.101354D+02  0.390793D+01 -0.129373D+00
      4  -0.124811D+02 -0.905065D+00  0.547625D+01 -0.136493D+02 -0.116017D+01
      5  -0.107564D+01 -0.252609D+01  0.827665D+00 -0.108649D+01  0.101805D+01
      6  -0.874281D-01  0.810225D+01 -0.385112D+01 -0.265365D+01  0.491562D+01
                16            17            18            19            20 
      1   0.638978D+00  0.183856D+01 -0.152932D+02 -0.203241D+02  0.419673D+01
      2  -0.334013D+01 -0.320603D+01  0.227064D+01  0.546419D+01 -0.385491D+01
      3   0.270115D+01  0.136746D+01  0.130226D+02  0.148599D+02 -0.341818D+00
      4   0.116264D+01 -0.110414D+01 -0.262970D+01  0.187451D+01  0.125856D+01
      5   0.569342D+00 -0.134614D+01 -0.143806D+00  0.187397D+01  0.160820D+00
      6   0.679001D+01  0.114281D+02  0.585775D+00 -0.156648D+01 -0.538906D+00
                21            22            23            24            25 
      1   0.154313D+01  0.122248D+01 -0.758251D+01 -0.439718D+00 -0.745568D-01
      2  -0.177236D+00  0.365456D+01  0.158205D+02  0.351830D+01  0.175907D+01
      3  -0.136590D+01 -0.487704D+01 -0.823804D+01 -0.307859D+01 -0.168452D+01
      4   0.276899D+00 -0.110306D+02  0.666759D+00 -0.105765D+01 -0.230012D+01
      5   0.112858D+00 -0.337863D+01 -0.879517D+00  0.250269D+01  0.914365D+01
      6  -0.200982D+01  0.120191D+01  0.213363D+01 -0.421030D+01 -0.172655D+01
                26            27            28            29            30 
      1  -0.983437D+00 -0.563660D+01  0.131255D+02  0.117923D+02  0.102103D+01
      2   0.204962D+01 -0.516713D+01 -0.100601D+02 -0.800761D+01  0.516392D+00
      3  -0.106618D+01  0.108037D+02 -0.306543D+01 -0.378472D+01 -0.153742D+01
      4  -0.840908D+00  0.728344D+00  0.440011D+01 -0.191209D+02 -0.196522D+01
      5   0.578246D+00  0.503834D+00 -0.364351D+00 -0.192312D+01 -0.396508D+01
      6   0.489758D+01 -0.161962D+01 -0.533975D+00 -0.102953D+00 -0.560052D+01
                31            32            33            34            35 
      1  -0.104734D+01  0.780028D+01  0.174386D+01 -0.231654D+00  0.166085D+01
      2   0.100091D+02 -0.150093D+02 -0.318839D+01  0.189703D+01 -0.520021D+01
      3  -0.896172D+01  0.720900D+01  0.144452D+01 -0.166538D+01  0.353936D+01
      4   0.963096D+01  0.153508D+02  0.101879D+01 -0.272095D+00  0.802298D+00
      5   0.876977D+00  0.124858D+01  0.993781D+00  0.513631D+01  0.582294D+01
      6   0.235933D+01 -0.392348D+01  0.758945D+01 -0.249149D+01  0.170698D+02
                36            37            38            39            40 
      1  -0.161110D+02 -0.200974D+01 -0.254983D+02 -0.332037D+01  0.294617D+02
      2   0.352627D+01 -0.268635D+00  0.166742D+02  0.177102D+00 -0.294933D+02
      3   0.125848D+02  0.227837D+01  0.882414D+01  0.314327D+01  0.315144D-01
      4   0.688544D+01 -0.142363D+02  0.458509D+01  0.245663D+00  0.948653D+00
      5   0.127942D+01 -0.842531D+00  0.938584D-01  0.505324D+01 -0.237870D+01
      6   0.251212D+01 -0.252972D+00  0.990893D+00  0.756133D+01 -0.379825D+01
                41            42            43            44            45 
      1   0.558580D+01  0.499476D+00  0.273238D+01  0.735235D+00  0.169753D+01
      2  -0.972336D+01 -0.113482D+01 -0.458957D+01 -0.325881D+01 -0.845452D+01
      3   0.413756D+01  0.635340D+00  0.185720D+01  0.252357D+01  0.675699D+01
      4  -0.105607D+02 -0.446633D+01 -0.163338D+01 -0.429341D+01  0.166773D+02
      5  -0.430694D+01  0.158225D+02  0.208486D+02  0.165620D+02  0.524593D+01
      6  -0.373974D+01  0.496922D+01  0.821501D+01  0.136332D+02  0.526780D+00
                46            47            48            49            50 
      1  -0.990609D+01  0.521837D+01  0.791944D+00 -0.974968D+01 -0.230042D+02
      2   0.588754D+01 -0.355095D+01 -0.551335D-01  0.100543D+02  0.209458D+02
      3   0.401855D+01 -0.166742D+01 -0.736810D+00 -0.304667D+00  0.205841D+01
      4   0.192106D+01  0.235552D+02  0.199362D+00 -0.242483D+02  0.337594D+01
      5   0.995311D+00  0.131697D+00  0.208398D+02 -0.606315D+01  0.816414D+00
      6   0.380229D+00  0.342161D+00 -0.288462D+01  0.137837D+01  0.266759D+01
                51            52            53            54            55 
      1  -0.400302D+01 -0.216840D+00 -0.403582D+01  0.154562D+02  0.121109D+02
      2   0.541080D+01  0.115564D+01  0.312189D+01 -0.189805D+02 -0.388344D+01
      3  -0.140778D+01 -0.938805D+00  0.913927D+00  0.352431D+01 -0.822749D+01
      4   0.145392D+01 -0.659883D+01  0.130956D+01 -0.418234D+01 -0.614540D+01
      5  -0.382672D+01  0.383640D+02 -0.389768D+01 -0.141611D+01 -0.713170D+00
      6  -0.641078D+01 -0.282460D+01  0.571008D+01 -0.237800D+01  0.293675D+01
                56            57            58            59            60 
      1  -0.377506D+01  0.323361D+01 -0.935465D+01  0.218890D+01  0.772249D+01
      2   0.301270D+01  0.101330D+01  0.126225D+02 -0.118295D+02 -0.863945D+01
      3   0.762362D+00 -0.424691D+01 -0.326785D+01  0.964062D+01  0.916965D+00
      4  -0.103555D+02  0.692435D+01 -0.650718D+01  0.268969D+02  0.146228D+02
      5   0.628635D+01 -0.227083D+02  0.974378D+01  0.140554D+02 -0.156884D+02
      6   0.351774D+00 -0.215237D+00  0.506647D+01 -0.642236D+01  0.104098D+01
                61            62            63            64            65 
      1   0.251996D+01  0.230629D+01 -0.847098D+01 -0.447276D+02  0.228111D+01
      2   0.313787D+01 -0.428458D+01  0.126283D+02  0.207084D+02 -0.275604D+00
      3  -0.565783D+01  0.197829D+01 -0.415733D+01  0.240192D+02 -0.200551D+01
      4   0.766676D+01  0.116410D+02 -0.539835D+01  0.406129D+01  0.122476D+02
      5  -0.402643D+02 -0.637027D+01  0.330143D+01 -0.180488D+02 -0.438784D+01
      6  -0.374520D+01 -0.107496D+02  0.619693D+01 -0.199418D+01  0.596844D+01
                66            67            68            69            70 
      1  -0.713841D+01 -0.107705D-01  0.669298D+01  0.449111D+00 -0.359088D+01
      2   0.362558D+00  0.982002D+00  0.341714D+01 -0.118593D+01 -0.721523D+01
      3   0.677585D+01 -0.971231D+00 -0.101101D+02  0.736822D+00  0.108061D+02
      4  -0.486611D+01  0.107311D+02 -0.182688D+02 -0.547758D+01 -0.618707D+01
      5   0.129838D+02 -0.601593D+01 -0.269562D+01 -0.202032D+01  0.255442D+02
      6  -0.254684D+01  0.337086D+01 -0.149395D+02 -0.175460D+01 -0.105115D+01
                71            72            73            74            75 
      1  -0.327733D-01 -0.781759D+01 -0.541859D+02  0.853962D+01  0.128855D+02
      2   0.151393D+01 -0.182229D+02  0.300695D+02 -0.283687D+01  0.268707D+01
      3  -0.148116D+01  0.260405D+02  0.241164D+02 -0.570275D+01 -0.155725D+02
      4  -0.977768D+01 -0.440673D+01  0.104093D+02  0.895731D+01 -0.446474D+01
      5  -0.404894D+01  0.215070D+02  0.157547D+02 -0.725645D+01  0.214660D+02
      6   0.354663D+01 -0.517395D+01 -0.687649D+01 -0.358720D+01  0.272852D+01
                76            77            78            79            80 
      1   0.158210D+02  0.767279D+01  0.180754D+00  0.145214D+01  0.164047D+01
      2  -0.113245D+02 -0.155669D+02  0.593901D+01  0.614896D+01  0.204732D+00
      3  -0.449652D+01  0.789410D+01 -0.611976D+01 -0.760111D+01 -0.184520D+01
      4   0.667620D+01 -0.238185D+02 -0.981874D+01 -0.834919D+01 -0.911888D+01
      5  -0.127673D+02 -0.117058D+02  0.173611D+02  0.229368D+02  0.103070D+02
      6  -0.397649D+01  0.769873D+01  0.552286D+01  0.425959D+01  0.622707D+01
                81            82            83            84            85 
      1   0.264437D+02 -0.116405D+01  0.241480D+01  0.310743D+01  0.788078D+01
      2  -0.617092D+00  0.145773D+01 -0.137107D+01 -0.365480D+00 -0.499084D+01
      3  -0.258266D+02 -0.293681D+00 -0.104372D+01 -0.274195D+01 -0.288993D+01
      4   0.129972D+02  0.143687D+01 -0.485338D+01 -0.306876D+00  0.172072D+01
      5   0.370930D+01  0.283739D-01  0.739539D+00 -0.221343D+01  0.548482D+01
      6  -0.105311D+02  0.194269D+01 -0.359543D+01 -0.303621D+00 -0.216755D+00
                86            87            88            89            90 
      1  -0.100541D+02 -0.448957D+01  0.287469D+01 -0.220075D+01 -0.478195D+01
      2   0.524545D+01 -0.180492D+00 -0.166710D+01 -0.340257D+00 -0.125402D+01
      3   0.480866D+01  0.467007D+01 -0.120759D+01  0.254101D+01  0.603597D+01
      4   0.184101D+02  0.109674D+02  0.155709D+01  0.118764D+02  0.371978D+01
      5   0.857903D+01  0.866337D+01  0.395750D+01  0.368801D+01  0.795021D+01
      6   0.149679D+02  0.114071D+02  0.317563D+00  0.109009D+02  0.355880D+01
                91            92            93            94            95 
      1   0.286915D+01 -0.320565D+01 -0.883584D+00 -0.259649D+01 -0.109961D+02
      2   0.258142D+01 -0.271123D+00  0.194877D+00 -0.275181D+01  0.253675D+02
      3  -0.545056D+01  0.347678D+01  0.688708D+00  0.534830D+01 -0.143714D+02
      4  -0.718386D+01  0.115477D+02  0.139757D+01  0.126280D+02 -0.307574D+02
      5  -0.191651D+01  0.125814D+01  0.612528D+01  0.111432D+01 -0.564905D+01
      6   0.177466D+01 -0.121303D+01  0.475891D-02 -0.145031D+01  0.782551D+01
                96            97            98            99           100 
      1  -0.238101D+01 -0.457476D+00 -0.202678D+01 -0.270520D+01  0.483622D+01
      2   0.461769D+01 -0.172626D+00  0.283113D+01  0.207992D+01 -0.428785D+00
      3  -0.223668D+01  0.630102D+00 -0.804344D+00  0.625275D+00 -0.440744D+01
      4  -0.628680D+01  0.152258D+01 -0.582417D+01 -0.477253D+01  0.238788D+01
      5  -0.622520D+01  0.602310D+01 -0.411480D+01 -0.335445D+01 -0.122032D+01
      6   0.573096D+01 -0.913465D+00  0.859100D+01  0.284512D+01 -0.318577D+00
               101           102           103           104           105 
      1   0.314443D+01 -0.212660D+01  0.647242D+01 -0.109845D+02  0.143381D+01
      2  -0.178436D+01 -0.113324D+00 -0.245127D+01  0.240060D+02  0.177481D+01
      3  -0.136006D+01  0.223993D+01 -0.402115D+01 -0.130216D+02 -0.320861D+01
      4   0.212758D+01  0.741441D+00  0.823006D+01  0.333303D+02 -0.782162D+00
      5  -0.189978D+00 -0.157741D+01 -0.431385D+01  0.136410D+00  0.707453D+01
      6   0.398225D+00 -0.108077D+01 -0.157279D+01 -0.142395D+02  0.488440D+01
               106           107           108           109           110 
      1   0.190285D+01  0.117737D+01 -0.442823D+01 -0.159903D+01 -0.169510D+01
      2  -0.117116D+01  0.198895D+01  0.192223D+01 -0.277660D+01  0.272516D+00
      3  -0.731693D+00 -0.316632D+01  0.250600D+01  0.437563D+01  0.142258D+01
      4   0.270174D+01  0.505581D+01  0.240837D+01 -0.171516D+01 -0.176133D+01
      5  -0.614669D+00  0.280233D+01  0.127768D+00 -0.657752D+00  0.944785D+00
      6   0.739473D-02  0.352565D+01  0.634975D+00  0.861991D+00  0.260019D+01
               111           112           113           114           115 
      1  -0.122260D+02 -0.328051D+01 -0.510141D+01 -0.373413D+01 -0.964860D+01
      2  -0.237580D+01  0.200447D+01  0.141405D+01 -0.234557D+01  0.279059D+01
      3   0.146018D+02  0.127604D+01  0.368736D+01  0.607969D+01  0.685800D+01
      4  -0.633143D+00  0.532110D+00 -0.416048D+00 -0.353371D+01 -0.182273D+01
      5  -0.453309D+01  0.262920D+01 -0.238748D+01 -0.648605D+01  0.590353D+01
      6   0.236703D+00  0.872575D+00  0.146118D+01  0.759216D+01 -0.201742D+00
               116           117           118           119           120 
      1  -0.142184D+01 -0.305527D+02  0.821574D+02 -0.595588D+01 -0.863336D+01
      2  -0.148320D+01 -0.167835D+02 -0.459037D+02  0.346087D+01  0.818495D+01
      3   0.290504D+01  0.473362D+02 -0.362537D+02  0.249502D+01  0.448403D+00
      4  -0.476909D+01 -0.335276D+01 -0.163803D+01  0.106884D+02 -0.155559D-01
      5  -0.118161D+01 -0.336764D+02 -0.321680D+02  0.161311D+01  0.155304D+02
      6   0.660307D+01 -0.196051D+00  0.221434D+01 -0.364186D+01  0.396958D+00
               121           122           123           124           125 
      1  -0.133382D+02  0.626708D+01  0.802217D+00  0.329428D+00  0.261193D+00
      2   0.730951D+01 -0.114535D+01 -0.205145D+01  0.239309D+01 -0.531980D+00
      3   0.602869D+01 -0.512173D+01  0.124923D+01 -0.272252D+01  0.270788D+00
      4   0.105028D+02 -0.172145D+01 -0.936908D+00  0.102245D+01  0.562698D+00
      5   0.624887D+01 -0.223521D+01 -0.525173D+01  0.108987D+02 -0.167016D+01
      6  -0.320000D+01  0.626947D+00  0.121788D+01  0.151724D+00  0.763158D+00
               126           127           128           129           130 
      1   0.392822D+01 -0.522256D+01  0.898145D+01  0.898884D+00  0.764410D+01
      2  -0.528589D+01  0.708615D+01 -0.114464D+02 -0.760596D+00 -0.977133D+01
      3   0.135766D+01 -0.186359D+01  0.246495D+01 -0.138288D+00  0.212723D+01
      4  -0.166863D+01 -0.367554D+01  0.723936D+01  0.587623D+00  0.524394D+01
      5  -0.530663D+01 -0.340068D+00  0.617780D+00  0.142592D+01  0.501469D+00
      6   0.481098D+00  0.976184D+00 -0.126370D+01 -0.172436D+01 -0.122020D+01
               131           132           133           134           135 
      1  -0.343504D+02 -0.305861D+01  0.810207D+00 -0.304537D+01 -0.107088D+01
      2   0.472334D+02  0.297957D+01 -0.118878D+01  0.410695D+01  0.193226D+01
      3  -0.128831D+02  0.790450D-01  0.378576D+00 -0.106157D+01 -0.861380D+00
      4   0.122422D+01  0.258283D+00  0.467181D+00  0.114298D+00 -0.123782D+01
      5   0.285805D+00 -0.273850D+00  0.601885D+00 -0.626491D+00 -0.315150D+00
      6   0.523315D+01  0.670399D+01 -0.218897D+00  0.178705D+01  0.785557D+00
               136           137           138           139           140 
      1   0.223982D+02  0.140153D+02  0.127774D+01  0.959754D+01  0.393144D+01
      2  -0.405548D+01  0.106475D+01 -0.444348D+00  0.647295D+01  0.167923D+02
      3  -0.183427D+02 -0.150801D+02 -0.833390D+00 -0.160705D+02 -0.207237D+02
      4   0.334069D+02  0.305439D+02  0.226997D+01  0.343533D+02  0.442586D+02
      5   0.344863D+01  0.255660D+01  0.574624D+01  0.344459D+01  0.400144D+01
      6   0.150197D+01  0.134602D+01  0.292330D+01  0.223572D+01  0.312318D+01
               141           142           143           144           145 
      1   0.375415D+00  0.787311D+00  0.177849D+00 -0.988107D-01  0.977859D+02
      2   0.437760D+00  0.544042D+00  0.137821D+01  0.959707D+00 -0.546990D+02
      3  -0.813175D+00 -0.133135D+01 -0.155606D+01 -0.860897D+00 -0.430869D+02
      4   0.355782D+01  0.312219D+01  0.375463D+01  0.151491D+01 -0.161605D+02
      5   0.484562D+01  0.118008D+01  0.108401D+01  0.543767D+00 -0.186616D+01
      6   0.550044D+01  0.948085D+00  0.146940D+01  0.801127D+00 -0.106395D+01
               146           147           148           149           150 
      1  -0.997623D+01 -0.161267D+01 -0.953338D+01  0.976812D+01  0.858347D+00
      2   0.485758D+01  0.103239D+01  0.409059D+01 -0.433141D+01 -0.750137D+00
      3   0.511865D+01  0.580274D+00  0.544279D+01 -0.543671D+01 -0.108209D+00
      4   0.101862D+02  0.138022D+00  0.163959D+02 -0.521184D+01 -0.483541D+00
      5   0.538069D-01  0.953307D+01  0.166158D+01 -0.408175D+00 -0.120762D+01
      6   0.202609D-01 -0.890930D+00 -0.168441D+00 -0.855926D-01  0.176515D+01
               151           152           153           154           155 
      1  -0.157774D+01  0.925263D+00  0.175108D+01  0.498701D+01 -0.412672D+01
      2   0.789594D+00 -0.502173D+00 -0.840293D+00  0.393532D+01 -0.610349D+01
      3   0.788149D+00 -0.423089D+00 -0.910791D+00 -0.892233D+01  0.102302D+02
      4   0.175686D+01 -0.600316D+00 -0.327558D+00 -0.179026D+02  0.232604D+02
      5   0.383959D+00 -0.155775D+00 -0.314856D+00 -0.176673D+01  0.195105D+01
      6  -0.114747D-01  0.533743D+00  0.214784D+00  0.135445D+01 -0.151319D+01
               156           157           158           159           160 
      1  -0.486202D+00  0.103697D+01 -0.168048D+02 -0.163821D+01  0.717586D-01
      2  -0.235049D+00 -0.122868D+02  0.408508D+02  0.277723D+01 -0.113240D+01
      3   0.721251D+00  0.112499D+02 -0.240460D+02 -0.113901D+01  0.106064D+01
      4   0.212494D+01  0.244827D+02 -0.480355D+02 -0.456835D+01  0.256698D+01
      5   0.363976D+01  0.232231D+01 -0.423302D+01 -0.439367D+01  0.949406D+00
      6  -0.209526D+01 -0.236513D+01  0.582641D+01  0.720160D+01 -0.100671D+01
               161           162           163           164           165 
      1  -0.165727D+01 -0.105273D+01 -0.449850D+01 -0.669233D+01 -0.759402D+00
      2   0.391108D+01  0.194941D+01  0.625845D+01  0.960361D+01  0.646284D+00
      3  -0.225381D+01 -0.896684D+00 -0.175995D+01 -0.291128D+01  0.113118D+00
      4  -0.520365D+01 -0.137462D+01  0.845122D+01  0.833478D+01  0.476957D+00
      5  -0.671534D+00 -0.585058D+00  0.356545D+00  0.298984D+00  0.218246D+01
      6   0.192151D+01  0.117869D+01  0.718831D+00  0.125938D+01  0.186686D+01
               166           167           168           169           170 
      1  -0.813907D+01 -0.202291D+02 -0.207278D+01 -0.528319D+00 -0.166141D+01
      2   0.112463D+02  0.273765D+02  0.167804D+01  0.103189D+01  0.225455D+01
      3  -0.310727D+01 -0.714746D+01  0.394734D+00 -0.503571D+00 -0.593137D+00
      4   0.850109D+01  0.854969D+01  0.473536D+00  0.686699D+00  0.722470D+00
      5   0.407354D+00  0.482920D+00  0.175803D+01  0.707895D+00  0.542667D+00
      6   0.133002D+01  0.278897D+01  0.474005D+01  0.189495D+00  0.125412D+01
               171           172           173           174           175 
      1  -0.103669D+00  0.744695D+02 -0.218702D+01  0.114423D+02 -0.678869D+01
      2   0.879216D+00 -0.412901D+02  0.882992D+00 -0.897586D+01  0.153522D+01
      3  -0.775547D+00 -0.331794D+02  0.130403D+01 -0.246643D+01  0.525346D+01
      4   0.181588D+01 -0.415097D+01  0.814790D+01  0.684846D+00  0.715418D+01
      5   0.177717D+00  0.360061D+02  0.591987D+00  0.148740D+02 -0.147141D+00
      6   0.461566D+00 -0.815596D+00  0.263615D+01  0.425551D+00  0.641933D+00
               176           177           178           179           180 
      1   0.221326D+01  0.266831D+01  0.507853D+01  0.334158D+01  0.198698D+01
      2  -0.921788D+00 -0.131602D+01 -0.434974D+01 -0.824269D+00 -0.314823D+01
      3  -0.129147D+01 -0.135229D+01 -0.728794D+00 -0.251731D+01  0.116125D+01
      4  -0.188551D+01  0.214950D+01  0.317815D+01  0.144041D+01 -0.801013D+00
      5   0.254980D+01 -0.860342D+00  0.876427D+01  0.320811D+00  0.467278D+01
      6  -0.550852D+00  0.215085D+01  0.135292D+01  0.184593D+01 -0.469129D+00
 Leave Link  716 at Thu Aug 12 22:35:56 2021, MaxMem=  5368709120 cpu:               0.3 elap:               0.1
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l9999.exe)
 AllDun F.D. properties on file 20721 Mask=       B NFrqRd=     1 NDeriv=     1 ND12= 1 LenFil=      39:
 Frequencies=    0.085645
 Property number 1 -- Alpha(-w,w) frequency  1    0.085645:
                 1             2             3 
      1   0.134967D+03  0.848765D+00 -0.701644D+00
      2   0.848765D+00  0.108808D+03  0.231011D+01
      3  -0.701644D+00  0.231011D+01  0.797943D+02
 Property number 2 -- FD Optical Rotation Tensor frequency  1    0.085645:
                 1             2             3 
      1   0.129053D+01 -0.190049D+01 -0.878917D+00
      2   0.234247D+01 -0.778321D+01  0.172604D+02
      3  -0.502940D+01  0.359948D+02  0.692686D+01
 Property number 4 -- D-Q polarizability frequency  1    0.085645:
                 1             2             3 
      1  -0.652593D+02  0.183449D+01  0.413280D+01
      2   0.148297D+02  0.387421D+01  0.504077D+01
      3   0.504296D+02 -0.570869D+01 -0.917357D+01
      4   0.969864D+01 -0.746193D+02 -0.176209D+02
      5  -0.900180D+01 -0.169723D+02  0.481751D+02
      6  -0.560348D+01 -0.582539D+01  0.244750D+01
 AllDun F.D. properties on file 20722 Mask=       B NFrqRd=     1 NDeriv=    60 ND12= 1 LenFil=    2163:
 Frequencies=    0.085645
 Property number 1 -- Alpha(-w,w) derivatives, frequency  1    0.085645:
                 1             2             3             4             5 
      1   0.365192D+01 -0.710246D+00 -0.175989D+00  0.549436D+01 -0.472905D+00
      2  -0.710246D+00 -0.229325D+01 -0.640132D-01 -0.472905D+00  0.165853D+01
      3  -0.175989D+00 -0.640132D-01 -0.104733D+01  0.162617D+00 -0.544134D+00
                 6             7             8             9            10 
      1   0.162617D+00  0.687717D+00  0.229322D+00 -0.200053D+01 -0.286344D+01
      2  -0.544134D+00  0.229322D+00 -0.679630D+00  0.426030D+01 -0.758446D+00
      3   0.274747D+01 -0.200053D+01  0.426030D+01  0.130558D+01  0.537571D-01
                11            12            13            14            15 
      1  -0.758446D+00  0.537571D-01  0.810938D+01  0.311681D+00 -0.670289D-01
      2   0.399823D+01  0.220369D+00  0.311681D+00  0.107745D+01 -0.293261D+00
      3   0.220369D+00  0.210122D+01 -0.670289D-01 -0.293261D+00  0.148910D+01
                16            17            18            19            20 
      1   0.852019D+00 -0.498636D-01  0.176383D+01  0.156448D+02 -0.136351D+01
      2  -0.498636D-01 -0.558163D+00  0.326764D+01 -0.136351D+01  0.259485D+01
      3   0.176383D+01  0.326764D+01  0.837149D+00  0.568202D-01  0.223381D+00
                21            22            23            24            25 
      1   0.568202D-01 -0.258166D+01 -0.174294D+01 -0.878086D+00 -0.421146D+00
      2   0.223381D+00 -0.174294D+01 -0.698470D+00 -0.179337D+00 -0.636578D+00
      3   0.190277D+01 -0.878086D+00 -0.179337D+00  0.419709D+00  0.427818D+01
                26            27            28            29            30 
      1  -0.636578D+00  0.427818D+01 -0.435342D+01  0.266407D+01  0.209382D+00
      2  -0.382863D-01 -0.320537D+00  0.266407D+01  0.291564D+01  0.100335D+00
      3  -0.320537D+00  0.160400D-01  0.209382D+00  0.100335D+00  0.157315D+01
                31            32            33            34            35 
      1  -0.655011D+01  0.170974D+00 -0.152620D-01 -0.745362D+00 -0.196555D+00
      2   0.170974D+00 -0.178406D+01  0.311504D+00 -0.196555D+00  0.568790D+00
      3  -0.152620D-01  0.311504D+00 -0.232308D+01  0.122564D+01 -0.404170D+01
                36            37            38            39            40 
      1   0.122564D+01  0.184440D+01 -0.661506D+00 -0.242384D-02 -0.602041D+01
      2  -0.404170D+01 -0.661506D+00 -0.389951D+01 -0.367707D+00  0.655300D+00
      3  -0.120549D+01 -0.242384D-02 -0.367707D+00 -0.177252D+01  0.291737D+00
                41            42            43            44            45 
      1   0.655300D+00  0.291737D+00 -0.819848D+00  0.336278D+00 -0.321186D+01
      2  -0.379294D+00  0.625431D+00  0.336278D+00  0.694014D+00 -0.364418D+01
      3   0.625431D+00 -0.231464D+01 -0.321186D+01 -0.364418D+01 -0.970716D+00
                46            47            48            49            50 
      1  -0.600465D+01  0.254705D+00  0.712985D-02  0.956905D+00  0.121926D+01
      2   0.254705D+00 -0.347960D+01 -0.455757D-01  0.121926D+01 -0.485688D+00
      3   0.712985D-02 -0.455757D-01 -0.325178D+01  0.818792D+00 -0.248133D+00
                51            52            53            54            55 
      1   0.818792D+00  0.242986D-01  0.705369D+00 -0.567068D+01 -0.199777D+01
      2  -0.248133D+00  0.705369D+00 -0.150482D+00  0.683164D+00 -0.644753D+00
      3   0.473325D+00 -0.567068D+01  0.683164D+00  0.277861D+00  0.227770D+00
                56            57            58            59            60 
      1  -0.644753D+00  0.227770D+00 -0.233324D+01 -0.129330D+01  0.155860D+01
      2  -0.740297D+00  0.144655D+01 -0.129330D+01  0.583642D+01  0.296769D+01
      3   0.144655D+01 -0.443449D+01  0.155860D+01  0.296769D+01 -0.325672D+01
                61            62            63            64            65 
      1  -0.466848D+00  0.118327D+01 -0.610511D+01 -0.833507D+01 -0.162623D-02
      2   0.118327D+01  0.234779D+01 -0.761521D+00 -0.162623D-02  0.101345D+01
      3  -0.610511D+01 -0.761521D+00  0.181012D+00 -0.889589D-01 -0.626559D+00
                66            67            68            69            70 
      1  -0.889589D-01  0.273742D+00  0.122793D+01 -0.969553D+00  0.295951D+01
      2  -0.626559D+00  0.122793D+01 -0.386990D+01 -0.123277D+01 -0.895296D+00
      3   0.153911D+01 -0.969553D+00 -0.123277D+01  0.621326D-02  0.354210D+01
                71            72            73            74            75 
      1  -0.895296D+00  0.354210D+01 -0.882275D+01  0.196814D+01  0.198090D+00
      2  -0.206948D+01 -0.998271D+00  0.196814D+01  0.113708D+01 -0.929053D+00
      3  -0.998271D+00  0.408358D+01  0.198090D+00 -0.929053D+00  0.497429D+01
                76            77            78            79            80 
      1   0.458726D+01  0.904484D+00 -0.138099D+01 -0.264773D+01 -0.130819D+01
      2   0.904484D+00 -0.474609D+01 -0.185527D+01 -0.130819D+01 -0.182215D+01
      3  -0.138099D+01 -0.185527D+01  0.367699D+01  0.429317D+01  0.197161D+01
                81            82            83            84            85 
      1   0.429317D+01 -0.690372D+00  0.473013D+00 -0.416183D-01  0.204782D+01
      2   0.197161D+01  0.473013D+00 -0.111382D+01 -0.235612D+00 -0.376124D-01
      3   0.368877D+01 -0.416183D-01 -0.235612D+00 -0.876089D+00  0.435963D+00
                86            87            88            89            90 
      1  -0.376124D-01  0.435963D+00  0.748386D+00  0.245070D+00  0.291448D+00
      2   0.408025D+01  0.239354D+01  0.245070D+00  0.256382D+01  0.955951D+00
      3   0.239354D+01  0.209254D+01  0.291448D+00  0.955951D+00  0.220482D+01
                91            92            93            94            95 
      1   0.861917D-01 -0.118351D+01 -0.388005D+00 -0.246798D+01  0.178094D+01
      2  -0.118351D+01  0.123372D+01  0.104729D+00  0.178094D+01 -0.694614D+01
      3  -0.388005D+00  0.104729D+00  0.892656D+00  0.576119D-01 -0.136805D+01
                96            97            98            99           100 
      1   0.576119D-01 -0.450204D+00  0.167824D+00  0.914904D+00  0.654854D+00
      2  -0.136805D+01  0.167824D+00 -0.129389D+01 -0.118133D+01  0.575317D+00
      3  -0.141588D+01  0.914904D+00 -0.118133D+01 -0.781616D+00  0.928283D-01
               101           102           103           104           105 
      1   0.575317D+00  0.928283D-01  0.188568D+01  0.666064D+00 -0.343507D+00
      2  -0.137475D+00  0.167659D+00  0.666064D+00  0.661736D+01 -0.198690D+00
      3   0.167659D+00 -0.582568D+00 -0.343507D+00 -0.198690D+00  0.143027D+01
               106           107           108           109           110 
      1   0.712925D+00  0.293311D+00 -0.333136D+00 -0.162626D+00 -0.331164D+00
      2   0.293311D+00  0.881265D+00  0.625880D+00 -0.331164D+00 -0.500181D+00
      3  -0.333136D+00  0.625880D+00 -0.242682D+00 -0.966357D+00  0.519666D-01
               111           112           113           114           115 
      1  -0.966357D+00 -0.803888D+00 -0.133965D+00  0.155674D+00 -0.153022D+01
      2   0.519666D-01 -0.133965D+00 -0.138756D+00 -0.930608D+00 -0.126612D+00
      3  -0.288560D+01  0.155674D+00 -0.930608D+00 -0.170433D+01 -0.525461D+00
               116           117           118           119           120 
      1  -0.126612D+00 -0.525461D+00  0.127375D+02 -0.720480D+00 -0.202936D+01
      2  -0.106416D+01 -0.356926D+00 -0.720480D+00  0.103516D+01 -0.163818D-01
      3  -0.356926D+00 -0.943818D+01 -0.202936D+01 -0.163818D-01  0.140747D+01
               121           122           123           124           125 
      1  -0.236000D+01  0.113787D+01  0.536114D+00 -0.764803D-01  0.214031D+00
      2   0.113787D+01 -0.870232D-01 -0.851356D-01  0.214031D+00  0.210600D+00
      3   0.536114D+00 -0.851356D-01 -0.866000D+00  0.927065D+00 -0.250659D+00
               126           127           128           129           130 
      1   0.927065D+00  0.151403D+01 -0.179897D+01 -0.163748D+00 -0.155156D+01
      2  -0.250659D+00 -0.179897D+01  0.226076D+01  0.204414D+00  0.205561D+01
      3  -0.764719D+00 -0.163748D+00  0.204414D+00  0.150153D+00  0.217406D+00
               131           132           133           134           135 
      1   0.205561D+01  0.217406D+00 -0.648016D-01  0.232808D+00 -0.482491D-01
      2  -0.888364D+01 -0.720738D+00  0.232808D+00 -0.802499D+00 -0.918357D-01
      3  -0.720738D+00 -0.850901D+00 -0.482491D-01 -0.918357D-01 -0.309874D-01
               136           137           138           139           140 
      1  -0.493189D+01 -0.386242D+01 -0.363405D+00 -0.377812D+01 -0.449637D+01
      2  -0.386242D+01 -0.353522D+01 -0.282913D+00 -0.449637D+01 -0.658224D+01
      3  -0.363405D+00 -0.282913D+00 -0.519742D+00 -0.417814D+00 -0.549918D+00
               141           142           143           144           145 
      1  -0.417814D+00 -0.294307D+00 -0.407444D+00 -0.246886D-01 -0.128986D+02
      2  -0.549918D+00 -0.407444D+00 -0.625864D+00  0.464615D-02  0.147406D+01
      3  -0.716609D+00 -0.246886D-01  0.464615D-02 -0.374115D-01  0.236717D+00
               146           147           148           149           150 
      1   0.147406D+01  0.236717D+00  0.150776D+01 -0.172745D+01 -0.202843D+00
      2  -0.893044D+00 -0.195313D-01 -0.172745D+01  0.529092D+00  0.493246D-01
      3  -0.195313D-01 -0.804926D+00 -0.202843D+00  0.493246D-01  0.131580D+00
               151           152           153           154           155 
      1   0.206040D+00 -0.216961D+00  0.188341D+00 -0.214271D+01  0.255224D+01
      2  -0.216961D+00  0.508636D-01  0.484809D-02  0.255224D+01 -0.281337D+01
      3   0.188341D+00  0.484809D-02  0.222686D-01  0.275165D+00 -0.279114D+00
               156           157           158           159           160 
      1   0.275165D+00  0.223732D+01 -0.380044D+01 -0.412292D+00  0.270038D+00
      2  -0.279114D+00 -0.380044D+01  0.959795D+01  0.945177D+00 -0.416748D+00
      3  -0.325412D+00 -0.412292D+00  0.945177D+00  0.859471D+00 -0.312566D-02
               161           162           163           164           165 
      1  -0.416748D+00 -0.312566D-02  0.336872D+01  0.229630D+01  0.131283D+00
      2   0.103937D+01  0.321182D-01  0.229630D+01  0.234414D+01  0.177221D+00
      3   0.321182D-01  0.592177D-01  0.131283D+00  0.177221D+00  0.283573D+00
               166           167           168           169           170 
      1   0.262542D+01  0.290323D+01  0.236751D+00  0.603269D-01  0.207293D+00
      2   0.290323D+01  0.560875D+01  0.433728D+00  0.207293D+00  0.495292D+00
      3   0.236751D+00  0.433728D+00  0.735900D+00 -0.961598D-01  0.365912D-01
               171           172           173           174           175 
      1  -0.961598D-01  0.137009D+02 -0.221216D+00  0.273092D+01 -0.127869D+01
      2   0.365912D-01 -0.221216D+00  0.872747D+00  0.169836D+00  0.671639D+00
      3  -0.579447D-02  0.273092D+01  0.169836D+00  0.167607D+01  0.216109D+00
               176           177           178           179           180 
      1   0.671639D+00  0.216109D+00  0.995676D+00  0.439664D+00  0.594324D+00
      2  -0.404491D+00  0.479656D+00  0.439664D+00  0.252808D+00 -0.195780D+00
      3   0.479656D+00 -0.614408D+00  0.594324D+00 -0.195780D+00  0.801302D+00
 Property number 2 -- FD Optical Rotation Tensor derivatives, frequency  1    0.085645:
                 1             2             3             4             5 
      1   0.268054D+00 -0.114233D+00  0.222643D+01 -0.489841D+00  0.238029D+00
      2   0.505018D+00  0.146929D+01 -0.251796D+00  0.525074D+00  0.153555D+01
      3  -0.430307D+01 -0.141140D+02 -0.154265D+01  0.365379D+01  0.807038D+00
                 6             7             8             9            10 
      1  -0.404276D+01  0.500704D+01  0.502701D+00 -0.562469D+00 -0.746054D+00
      2  -0.646899D+01 -0.850456D+01 -0.990986D+01 -0.223938D+01 -0.423011D+00
      3  -0.113304D+01  0.305604D-02 -0.155130D+01  0.541995D+01  0.532367D+00
                11            12            13            14            15 
      1   0.146992D+00 -0.345378D+01  0.452940D+00 -0.165442D+00 -0.207914D+01
      2   0.621098D-01 -0.153347D+01  0.108788D+01 -0.462230D+00 -0.111786D+01
      3   0.115492D+01  0.387881D+00  0.909136D+00  0.581312D+01 -0.439326D-01
                16            17            18            19            20 
      1  -0.695161D+01  0.317433D+01 -0.814540D-02  0.419713D+00 -0.166770D-01
      2  -0.130131D+02 -0.846136D-01 -0.374113D+00  0.632627D+00 -0.409635D+00
      3  -0.117495D+01  0.140154D+00  0.594220D+01 -0.317599D+01  0.657215D+01
                21            22            23            24            25 
      1   0.357572D-01  0.538689D+00 -0.112902D+01  0.176722D+01  0.110541D+01
      2  -0.237436D+01 -0.630812D+00 -0.788503D+00  0.127527D+01 -0.151623D+02
      3   0.421171D+00  0.153438D+02 -0.671115D+00  0.111400D+01 -0.692563D-01
                26            27            28            29            30 
      1   0.103907D+02  0.113338D+01 -0.156903D+00 -0.225881D+00  0.255307D+01
      2   0.230688D-01 -0.452691D+00 -0.897329D+00  0.301502D+00 -0.129536D+01
      3   0.823946D+00 -0.181494D+01  0.690615D+01 -0.456882D+01 -0.574400D+00
                31            32            33            34            35 
      1  -0.860412D+00  0.185215D+00 -0.310002D+01  0.422543D+01  0.251504D+00
      2   0.133160D+01  0.725587D+00  0.155308D+01 -0.137301D+02  0.202037D+01
      3   0.506092D+01 -0.640252D+01 -0.403241D+00 -0.932877D+00 -0.269203D+00
                36            37            38            39            40 
      1  -0.433160D+00  0.806267D-02  0.133477D+00 -0.312453D+01  0.776065D+00
      2   0.108368D+01  0.192287D+00  0.895806D+00  0.231574D+01 -0.293204D+00
      3  -0.537261D+01 -0.423975D+01 -0.100803D+02 -0.898043D+00  0.681889D+01
                41            42            43            44            45 
      1  -0.150298D-02 -0.211844D+01 -0.693597D+01  0.404587D+01  0.226234D+00
      2  -0.176545D+01  0.753455D+01 -0.325430D+01  0.105892D+02  0.242221D+01
      3  -0.147033D+01  0.116198D+01  0.555322D+00  0.133052D+01 -0.491508D+01
                46            47            48            49            50 
      1   0.548032D-01 -0.265266D-03  0.120399D+01 -0.181658D+00 -0.177787D+01
      2  -0.380972D+00 -0.284261D+00  0.918333D+01 -0.235416D+01  0.177245D+00
      3   0.321082D+01 -0.706327D+01  0.283706D+00  0.127308D+02  0.244705D+01
                51            52            53            54            55 
      1   0.310496D+01  0.227584D+01  0.113677D+02  0.158451D+01 -0.111556D+00
      2  -0.200846D+01  0.857934D+01 -0.252144D+01 -0.728929D+00  0.735997D+00
      3  -0.226993D+00  0.210690D+01 -0.211879D+00  0.135523D+01  0.491506D+01
                56            57            58            59            60 
      1  -0.948825D+00  0.764522D+00  0.559355D+00 -0.447863D+00 -0.527140D+01
      2   0.209805D+01 -0.520588D+01  0.139737D+01  0.615366D+01 -0.646021D+01
      3   0.285518D+01 -0.248832D+01  0.968580D+01 -0.130230D+02 -0.827648D+01
                61            62            63            64            65 
      1  -0.194622D+01 -0.122551D+01  0.768753D+00 -0.135281D+01  0.360472D+01
      2  -0.141897D+02  0.606200D-01 -0.275052D+01  0.165336D+02 -0.841020D+00
      3  -0.302309D+00 -0.610560D+01  0.482244D+01  0.306107D+01 -0.751897D+01
                66            67            68            69            70 
      1  -0.174715D+01  0.508878D+00 -0.935248D+01 -0.828940D+01  0.559735D+00
      2   0.102596D+02  0.474819D+00 -0.575645D+01  0.936557D+00  0.254856D+01
      3   0.817243D+00 -0.620336D+00  0.108683D+02  0.567236D+01 -0.113516D+01
                71            72            73            74            75 
      1   0.101418D+01  0.248553D+01 -0.311938D+01 -0.193092D+01 -0.136933D+01
      2  -0.225570D+01  0.748506D+01 -0.107396D+02  0.294232D+00  0.156626D+02
      3   0.638370D+01  0.875872D+00 -0.117744D+02 -0.605042D+01  0.360212D+01
                76            77            78            79            80 
      1  -0.984642D-01  0.825616D+01 -0.119790D+01 -0.576249D-01  0.358261D+01
      2   0.305312D+00 -0.330776D+01  0.697977D+01  0.673580D+01  0.353601D+01
      3  -0.688561D+00  0.163232D+02  0.486567D+01  0.416199D+01  0.444152D+01
                81            82            83            84            85 
      1  -0.870161D+01  0.206381D+01 -0.279545D+01  0.582012D+00 -0.981296D+00
      2   0.187428D+02  0.245201D+01 -0.141851D+01 -0.136209D+01 -0.280131D+01
      3  -0.471768D+01 -0.317442D+01  0.385299D+01  0.207734D+00  0.366275D+01
                86            87            88            89            90 
      1   0.104382D+02  0.284296D+01  0.452797D+00  0.588072D+01  0.146057D+01
      2   0.668882D+01  0.486798D+01 -0.661663D+00  0.186745D+01  0.402480D+01
      3  -0.103930D+02 -0.651793D+01 -0.891959D+00 -0.637334D+01 -0.248340D+01
                91            92            93            94            95 
      1   0.419318D+00 -0.238036D+00  0.754065D+00  0.488290D-01  0.140418D+01
      2  -0.100022D+01  0.168778D+00  0.234705D+01 -0.464323D+00 -0.284083D+01
      3   0.340074D+01 -0.300539D+01 -0.107990D+00  0.259800D+01  0.139855D+02
                96            97            98            99           100 
      1  -0.272971D+01  0.760813D+00  0.151966D+01 -0.528574D+00 -0.128322D+01
      2  -0.297291D+01 -0.259721D+00 -0.196825D+01 -0.107301D+01  0.414993D+00
      3   0.303952D+01  0.429702D+00  0.295121D+01  0.171109D+01 -0.283911D+01
               101           102           103           104           105 
      1   0.371970D+00  0.525028D+00  0.186633D+00 -0.103342D+02 -0.339806D+01
      2   0.744456D+00 -0.790713D+00  0.113848D+01  0.303547D+00  0.318135D+01
      3   0.104448D+01  0.157642D+00  0.355602D+01 -0.190719D+02 -0.503498D+00
               106           107           108           109           110 
      1   0.156348D+00 -0.299676D+00 -0.963880D+00  0.975126D+00  0.176206D+01
      2  -0.128704D+01  0.133258D+01 -0.744456D+00 -0.422336D+01 -0.468847D+00
      3   0.822663D+00 -0.302234D+01 -0.207252D+01  0.966824D+00  0.911379D+00
               111           112           113           114           115 
      1   0.137983D+01  0.906877D+00  0.449293D+00  0.116184D+01  0.868317D+00
      2  -0.801818D+01 -0.126881D+01 -0.217137D+01 -0.417810D+01 -0.711098D+01
      3  -0.555032D+00  0.151890D+01  0.137606D+00  0.184261D+01 -0.561366D+00
               116           117           118           119           120 
      1   0.465415D+01  0.466599D+01  0.154425D+01 -0.215877D+01 -0.261073D+00
      2  -0.145396D+01 -0.243021D+02  0.100531D+02 -0.122543D+01  0.520504D+01
      3   0.208517D+01  0.360214D+00  0.678429D+01 -0.711240D+01 -0.491353D+00
               121           122           123           124           125 
      1  -0.154257D+01  0.804171D-01 -0.678166D+00 -0.201377D+00  0.417365D+00
      2  -0.135326D+01  0.966459D+00 -0.214936D+01  0.442018D+00 -0.585450D+00
      3  -0.285726D+01  0.165392D+00  0.905988D-01 -0.104544D+01 -0.400234D-01
               126           127           128           129           130 
      1   0.563400D+00  0.247734D-01 -0.160657D+00  0.143637D+01  0.428899D-01
      2  -0.142414D+01  0.656055D+00 -0.447637D+00  0.371519D+00 -0.579246D+00
      3   0.104525D+01 -0.609783D+01  0.383062D+01  0.432126D+00  0.728923D+01
               131           132           133           134           135 
      1   0.351535D+00 -0.422565D+01 -0.489866D+00  0.218573D+01 -0.817138D-01
      2   0.100508D+01 -0.542360D+00 -0.138573D+01  0.106645D+00 -0.153542D+00
      3  -0.908857D+01 -0.959252D+00  0.644328D+00 -0.731888D+00  0.957054D-01
               136           137           138           139           140 
      1   0.600742D-01  0.268128D+00 -0.226732D+01 -0.746662D-01  0.232472D+00
      2   0.374206D-01  0.115827D+00  0.294051D+01  0.411312D+00  0.796732D+00
      3  -0.148868D+01 -0.493547D+01 -0.138524D+00 -0.349067D+01 -0.110863D+02
               141           142           143           144           145 
      1  -0.327303D+01  0.958206D+00  0.162389D+01 -0.183641D+00 -0.299227D-01
      2   0.319425D+01 -0.112753D+01 -0.808818D+00  0.139375D+00 -0.274718D+00
      3  -0.745963D+00 -0.371313D+00 -0.107132D+01  0.112937D+00  0.825684D+00
               146           147           148           149           150 
      1  -0.797114D-01  0.693200D+00  0.420273D-01 -0.165843D-01 -0.508471D+00
      2  -0.524428D-01  0.600313D+01  0.753761D+00 -0.129060D+00 -0.854790D+00
      3  -0.542374D+01  0.717644D-01 -0.389313D+01  0.173030D+01  0.124147D+00
               151           152           153           154           155 
      1  -0.465926D+00  0.534462D+00  0.585442D-02 -0.537018D-01 -0.917715D-01
      2  -0.324110D+01  0.253165D+00 -0.999719D-01 -0.122778D+00  0.139553D+00
      3  -0.885017D+00  0.245017D+00 -0.133556D+00  0.719241D+00 -0.269417D+01
               156           157           158           159           160 
      1   0.154830D+01  0.121752D+00  0.161176D+00 -0.443039D+01 -0.671324D+00
      2   0.146066D+01  0.238325D+00 -0.124631D+01 -0.269621D+01 -0.707451D+00
      3  -0.120190D+00 -0.117130D+01  0.140813D+02  0.119956D+01 -0.128217D+00
               161           162           163           164           165 
      1   0.200051D+01 -0.301384D+00  0.195225D+00  0.427227D+00 -0.226521D+01
      2   0.599340D+00 -0.196842D+00 -0.114880D+01 -0.325556D+00  0.916504D+00
      3   0.161855D+01  0.725273D-01  0.988318D+01  0.351069D+01  0.935606D-01
               166           167           168           169           170 
      1   0.141800D+00  0.595456D-01 -0.317341D+01  0.267826D+00  0.205633D+01
      2  -0.571103D+00 -0.594703D+00  0.156471D+01 -0.160409D+01 -0.143423D+00
      3   0.780927D+01  0.523397D+01  0.502911D+00 -0.159378D-01  0.456559D+00
               171           172           173           174           175 
      1  -0.107195D-02  0.820330D+00  0.204663D+01  0.785809D+00  0.252569D+00
      2   0.130716D+00 -0.133528D+02  0.338578D+00  0.406643D+01  0.265229D+01
      3  -0.142718D+00 -0.453644D+01 -0.557075D+01 -0.711927D+00 -0.429054D+00
               176           177           178           179           180 
      1   0.213966D+00 -0.261305D+00  0.150642D+01  0.728014D+00  0.249043D-01
      2   0.709984D+00 -0.163827D+01 -0.553402D+00 -0.107978D+01  0.860343D+00
      3   0.367832D-01 -0.115229D+01 -0.121017D+01 -0.109947D+01 -0.160920D+00
 Property number 4 -- D-Q polarizability derivatives, frequency  1    0.085645:
                 1             2             3             4             5 
      1   0.101289D+02  0.228432D+02  0.228189D+01 -0.219926D+02  0.113275D+02
      2  -0.986682D+01 -0.148368D+02 -0.397162D+00  0.204839D+02 -0.178366D+02
      3  -0.262063D+00 -0.800641D+01 -0.188472D+01  0.150872D+01  0.650910D+01
      4   0.180218D+02 -0.529997D+01 -0.600830D+00  0.135455D+02  0.311052D+01
      5   0.148762D+01 -0.155383D+00 -0.219503D+01 -0.198260D+00  0.343146D+01
      6  -0.158653D+01 -0.369816D+00 -0.489425D+01  0.266066D+01 -0.548835D+01
                 6             7             8             9            10 
      1   0.170671D+01 -0.240442D+01  0.146071D+01 -0.633634D+01 -0.127463D+01
      2  -0.355371D+01  0.364671D+01 -0.526959D+01 -0.259005D+01 -0.194260D+00
      3   0.184700D+01 -0.124229D+01  0.380888D+01  0.892639D+01  0.146889D+01
      4   0.336825D+01 -0.247901D+00  0.425272D+01 -0.165952D+02 -0.127137D+02
      5  -0.138058D+02  0.139331D+02 -0.167759D+02 -0.460833D+01 -0.748495D+00
      6   0.923727D+01 -0.719174D+01  0.178493D+02  0.189465D+01  0.346661D+00
                11            12            13            14            15 
      1  -0.191833D+02 -0.223237D+01  0.612850D+01  0.312048D+01  0.183648D+01
      2   0.139441D+02 -0.447179D+00 -0.162639D+02 -0.702841D+01 -0.170710D+01
      3   0.523921D+01  0.267954D+01  0.101354D+02  0.390793D+01 -0.129373D+00
      4  -0.124811D+02 -0.905065D+00  0.547625D+01 -0.136493D+02 -0.116017D+01
      5  -0.107564D+01 -0.252609D+01  0.827665D+00 -0.108649D+01  0.101805D+01
      6  -0.874281D-01  0.810225D+01 -0.385112D+01 -0.265365D+01  0.491562D+01
                16            17            18            19            20 
      1   0.638978D+00  0.183856D+01 -0.152932D+02 -0.203241D+02  0.419673D+01
      2  -0.334013D+01 -0.320603D+01  0.227064D+01  0.546419D+01 -0.385491D+01
      3   0.270115D+01  0.136746D+01  0.130226D+02  0.148599D+02 -0.341818D+00
      4   0.116264D+01 -0.110414D+01 -0.262970D+01  0.187451D+01  0.125856D+01
      5   0.569342D+00 -0.134614D+01 -0.143806D+00  0.187397D+01  0.160820D+00
      6   0.679001D+01  0.114281D+02  0.585775D+00 -0.156648D+01 -0.538906D+00
                21            22            23            24            25 
      1   0.154313D+01  0.122248D+01 -0.758251D+01 -0.439718D+00 -0.745568D-01
      2  -0.177236D+00  0.365456D+01  0.158205D+02  0.351830D+01  0.175907D+01
      3  -0.136590D+01 -0.487704D+01 -0.823804D+01 -0.307859D+01 -0.168452D+01
      4   0.276899D+00 -0.110306D+02  0.666759D+00 -0.105765D+01 -0.230012D+01
      5   0.112858D+00 -0.337863D+01 -0.879517D+00  0.250269D+01  0.914365D+01
      6  -0.200982D+01  0.120191D+01  0.213363D+01 -0.421030D+01 -0.172655D+01
                26            27            28            29            30 
      1  -0.983437D+00 -0.563660D+01  0.131255D+02  0.117923D+02  0.102103D+01
      2   0.204962D+01 -0.516713D+01 -0.100601D+02 -0.800761D+01  0.516392D+00
      3  -0.106618D+01  0.108037D+02 -0.306543D+01 -0.378472D+01 -0.153742D+01
      4  -0.840908D+00  0.728344D+00  0.440011D+01 -0.191209D+02 -0.196522D+01
      5   0.578246D+00  0.503834D+00 -0.364351D+00 -0.192312D+01 -0.396508D+01
      6   0.489758D+01 -0.161962D+01 -0.533975D+00 -0.102953D+00 -0.560052D+01
                31            32            33            34            35 
      1  -0.104734D+01  0.780028D+01  0.174386D+01 -0.231654D+00  0.166085D+01
      2   0.100091D+02 -0.150093D+02 -0.318839D+01  0.189703D+01 -0.520021D+01
      3  -0.896172D+01  0.720900D+01  0.144452D+01 -0.166538D+01  0.353936D+01
      4   0.963096D+01  0.153508D+02  0.101879D+01 -0.272095D+00  0.802298D+00
      5   0.876977D+00  0.124858D+01  0.993781D+00  0.513631D+01  0.582294D+01
      6   0.235933D+01 -0.392348D+01  0.758945D+01 -0.249149D+01  0.170698D+02
                36            37            38            39            40 
      1  -0.161110D+02 -0.200974D+01 -0.254983D+02 -0.332037D+01  0.294617D+02
      2   0.352627D+01 -0.268635D+00  0.166742D+02  0.177102D+00 -0.294933D+02
      3   0.125848D+02  0.227837D+01  0.882414D+01  0.314327D+01  0.315144D-01
      4   0.688544D+01 -0.142363D+02  0.458509D+01  0.245663D+00  0.948653D+00
      5   0.127942D+01 -0.842531D+00  0.938584D-01  0.505324D+01 -0.237870D+01
      6   0.251212D+01 -0.252972D+00  0.990893D+00  0.756133D+01 -0.379825D+01
                41            42            43            44            45 
      1   0.558580D+01  0.499476D+00  0.273238D+01  0.735235D+00  0.169753D+01
      2  -0.972336D+01 -0.113482D+01 -0.458957D+01 -0.325881D+01 -0.845452D+01
      3   0.413756D+01  0.635340D+00  0.185720D+01  0.252357D+01  0.675699D+01
      4  -0.105607D+02 -0.446633D+01 -0.163338D+01 -0.429341D+01  0.166773D+02
      5  -0.430694D+01  0.158225D+02  0.208486D+02  0.165620D+02  0.524593D+01
      6  -0.373974D+01  0.496922D+01  0.821501D+01  0.136332D+02  0.526780D+00
                46            47            48            49            50 
      1  -0.990609D+01  0.521837D+01  0.791944D+00 -0.974968D+01 -0.230042D+02
      2   0.588754D+01 -0.355095D+01 -0.551335D-01  0.100543D+02  0.209458D+02
      3   0.401855D+01 -0.166742D+01 -0.736810D+00 -0.304667D+00  0.205841D+01
      4   0.192106D+01  0.235552D+02  0.199362D+00 -0.242483D+02  0.337594D+01
      5   0.995311D+00  0.131697D+00  0.208398D+02 -0.606315D+01  0.816414D+00
      6   0.380229D+00  0.342161D+00 -0.288462D+01  0.137837D+01  0.266759D+01
                51            52            53            54            55 
      1  -0.400302D+01 -0.216840D+00 -0.403582D+01  0.154562D+02  0.121109D+02
      2   0.541080D+01  0.115564D+01  0.312189D+01 -0.189805D+02 -0.388344D+01
      3  -0.140778D+01 -0.938805D+00  0.913927D+00  0.352431D+01 -0.822749D+01
      4   0.145392D+01 -0.659883D+01  0.130956D+01 -0.418234D+01 -0.614540D+01
      5  -0.382672D+01  0.383640D+02 -0.389768D+01 -0.141611D+01 -0.713170D+00
      6  -0.641078D+01 -0.282460D+01  0.571008D+01 -0.237800D+01  0.293675D+01
                56            57            58            59            60 
      1  -0.377506D+01  0.323361D+01 -0.935465D+01  0.218890D+01  0.772249D+01
      2   0.301270D+01  0.101330D+01  0.126225D+02 -0.118295D+02 -0.863945D+01
      3   0.762362D+00 -0.424691D+01 -0.326785D+01  0.964062D+01  0.916965D+00
      4  -0.103555D+02  0.692435D+01 -0.650718D+01  0.268969D+02  0.146228D+02
      5   0.628635D+01 -0.227083D+02  0.974378D+01  0.140554D+02 -0.156884D+02
      6   0.351774D+00 -0.215237D+00  0.506647D+01 -0.642236D+01  0.104098D+01
                61            62            63            64            65 
      1   0.251996D+01  0.230629D+01 -0.847098D+01 -0.447276D+02  0.228111D+01
      2   0.313787D+01 -0.428458D+01  0.126283D+02  0.207084D+02 -0.275604D+00
      3  -0.565783D+01  0.197829D+01 -0.415733D+01  0.240192D+02 -0.200551D+01
      4   0.766676D+01  0.116410D+02 -0.539835D+01  0.406129D+01  0.122476D+02
      5  -0.402643D+02 -0.637027D+01  0.330143D+01 -0.180488D+02 -0.438784D+01
      6  -0.374520D+01 -0.107496D+02  0.619693D+01 -0.199418D+01  0.596844D+01
                66            67            68            69            70 
      1  -0.713841D+01 -0.107705D-01  0.669298D+01  0.449111D+00 -0.359088D+01
      2   0.362558D+00  0.982002D+00  0.341714D+01 -0.118593D+01 -0.721523D+01
      3   0.677585D+01 -0.971231D+00 -0.101101D+02  0.736822D+00  0.108061D+02
      4  -0.486611D+01  0.107311D+02 -0.182688D+02 -0.547758D+01 -0.618707D+01
      5   0.129838D+02 -0.601593D+01 -0.269562D+01 -0.202032D+01  0.255442D+02
      6  -0.254684D+01  0.337086D+01 -0.149395D+02 -0.175460D+01 -0.105115D+01
                71            72            73            74            75 
      1  -0.327733D-01 -0.781759D+01 -0.541859D+02  0.853962D+01  0.128855D+02
      2   0.151393D+01 -0.182229D+02  0.300695D+02 -0.283687D+01  0.268707D+01
      3  -0.148116D+01  0.260405D+02  0.241164D+02 -0.570275D+01 -0.155725D+02
      4  -0.977768D+01 -0.440673D+01  0.104093D+02  0.895731D+01 -0.446474D+01
      5  -0.404894D+01  0.215070D+02  0.157547D+02 -0.725645D+01  0.214660D+02
      6   0.354663D+01 -0.517395D+01 -0.687649D+01 -0.358720D+01  0.272852D+01
                76            77            78            79            80 
      1   0.158210D+02  0.767279D+01  0.180754D+00  0.145214D+01  0.164047D+01
      2  -0.113245D+02 -0.155669D+02  0.593901D+01  0.614896D+01  0.204732D+00
      3  -0.449652D+01  0.789410D+01 -0.611976D+01 -0.760111D+01 -0.184520D+01
      4   0.667620D+01 -0.238185D+02 -0.981874D+01 -0.834919D+01 -0.911888D+01
      5  -0.127673D+02 -0.117058D+02  0.173611D+02  0.229368D+02  0.103070D+02
      6  -0.397649D+01  0.769873D+01  0.552286D+01  0.425959D+01  0.622707D+01
                81            82            83            84            85 
      1   0.264437D+02 -0.116405D+01  0.241480D+01  0.310743D+01  0.788078D+01
      2  -0.617092D+00  0.145773D+01 -0.137107D+01 -0.365480D+00 -0.499084D+01
      3  -0.258266D+02 -0.293681D+00 -0.104372D+01 -0.274195D+01 -0.288993D+01
      4   0.129972D+02  0.143687D+01 -0.485338D+01 -0.306876D+00  0.172072D+01
      5   0.370930D+01  0.283739D-01  0.739539D+00 -0.221343D+01  0.548482D+01
      6  -0.105311D+02  0.194269D+01 -0.359543D+01 -0.303621D+00 -0.216755D+00
                86            87            88            89            90 
      1  -0.100541D+02 -0.448957D+01  0.287469D+01 -0.220075D+01 -0.478195D+01
      2   0.524545D+01 -0.180492D+00 -0.166710D+01 -0.340257D+00 -0.125402D+01
      3   0.480866D+01  0.467007D+01 -0.120759D+01  0.254101D+01  0.603597D+01
      4   0.184101D+02  0.109674D+02  0.155709D+01  0.118764D+02  0.371978D+01
      5   0.857903D+01  0.866337D+01  0.395750D+01  0.368801D+01  0.795021D+01
      6   0.149679D+02  0.114071D+02  0.317563D+00  0.109009D+02  0.355880D+01
                91            92            93            94            95 
      1   0.286915D+01 -0.320565D+01 -0.883584D+00 -0.259649D+01 -0.109961D+02
      2   0.258142D+01 -0.271123D+00  0.194877D+00 -0.275181D+01  0.253675D+02
      3  -0.545056D+01  0.347678D+01  0.688708D+00  0.534830D+01 -0.143714D+02
      4  -0.718386D+01  0.115477D+02  0.139757D+01  0.126280D+02 -0.307574D+02
      5  -0.191651D+01  0.125814D+01  0.612528D+01  0.111432D+01 -0.564905D+01
      6   0.177466D+01 -0.121303D+01  0.475891D-02 -0.145031D+01  0.782551D+01
                96            97            98            99           100 
      1  -0.238101D+01 -0.457476D+00 -0.202678D+01 -0.270520D+01  0.483622D+01
      2   0.461769D+01 -0.172626D+00  0.283113D+01  0.207992D+01 -0.428785D+00
      3  -0.223668D+01  0.630102D+00 -0.804344D+00  0.625275D+00 -0.440744D+01
      4  -0.628680D+01  0.152258D+01 -0.582417D+01 -0.477253D+01  0.238788D+01
      5  -0.622520D+01  0.602310D+01 -0.411480D+01 -0.335445D+01 -0.122032D+01
      6   0.573096D+01 -0.913465D+00  0.859100D+01  0.284512D+01 -0.318577D+00
               101           102           103           104           105 
      1   0.314443D+01 -0.212660D+01  0.647242D+01 -0.109845D+02  0.143381D+01
      2  -0.178436D+01 -0.113324D+00 -0.245127D+01  0.240060D+02  0.177481D+01
      3  -0.136006D+01  0.223993D+01 -0.402115D+01 -0.130216D+02 -0.320861D+01
      4   0.212758D+01  0.741441D+00  0.823006D+01  0.333303D+02 -0.782162D+00
      5  -0.189978D+00 -0.157741D+01 -0.431385D+01  0.136410D+00  0.707453D+01
      6   0.398225D+00 -0.108077D+01 -0.157279D+01 -0.142395D+02  0.488440D+01
               106           107           108           109           110 
      1   0.190285D+01  0.117737D+01 -0.442823D+01 -0.159903D+01 -0.169510D+01
      2  -0.117116D+01  0.198895D+01  0.192223D+01 -0.277660D+01  0.272516D+00
      3  -0.731693D+00 -0.316632D+01  0.250600D+01  0.437563D+01  0.142258D+01
      4   0.270174D+01  0.505581D+01  0.240837D+01 -0.171516D+01 -0.176133D+01
      5  -0.614669D+00  0.280233D+01  0.127768D+00 -0.657752D+00  0.944785D+00
      6   0.739473D-02  0.352565D+01  0.634975D+00  0.861991D+00  0.260019D+01
               111           112           113           114           115 
      1  -0.122260D+02 -0.328051D+01 -0.510141D+01 -0.373413D+01 -0.964860D+01
      2  -0.237580D+01  0.200447D+01  0.141405D+01 -0.234557D+01  0.279059D+01
      3   0.146018D+02  0.127604D+01  0.368736D+01  0.607969D+01  0.685800D+01
      4  -0.633143D+00  0.532110D+00 -0.416048D+00 -0.353371D+01 -0.182273D+01
      5  -0.453309D+01  0.262920D+01 -0.238748D+01 -0.648605D+01  0.590353D+01
      6   0.236703D+00  0.872575D+00  0.146118D+01  0.759216D+01 -0.201742D+00
               116           117           118           119           120 
      1  -0.142184D+01 -0.305527D+02  0.821574D+02 -0.595588D+01 -0.863336D+01
      2  -0.148320D+01 -0.167835D+02 -0.459037D+02  0.346087D+01  0.818495D+01
      3   0.290504D+01  0.473362D+02 -0.362537D+02  0.249502D+01  0.448403D+00
      4  -0.476909D+01 -0.335276D+01 -0.163803D+01  0.106884D+02 -0.155559D-01
      5  -0.118161D+01 -0.336764D+02 -0.321680D+02  0.161311D+01  0.155304D+02
      6   0.660307D+01 -0.196051D+00  0.221434D+01 -0.364186D+01  0.396958D+00
               121           122           123           124           125 
      1  -0.133382D+02  0.626708D+01  0.802217D+00  0.329428D+00  0.261193D+00
      2   0.730951D+01 -0.114535D+01 -0.205145D+01  0.239309D+01 -0.531980D+00
      3   0.602869D+01 -0.512173D+01  0.124923D+01 -0.272252D+01  0.270788D+00
      4   0.105028D+02 -0.172145D+01 -0.936908D+00  0.102245D+01  0.562698D+00
      5   0.624887D+01 -0.223521D+01 -0.525173D+01  0.108987D+02 -0.167016D+01
      6  -0.320000D+01  0.626947D+00  0.121788D+01  0.151724D+00  0.763158D+00
               126           127           128           129           130 
      1   0.392822D+01 -0.522256D+01  0.898145D+01  0.898884D+00  0.764410D+01
      2  -0.528589D+01  0.708615D+01 -0.114464D+02 -0.760596D+00 -0.977133D+01
      3   0.135766D+01 -0.186359D+01  0.246495D+01 -0.138288D+00  0.212723D+01
      4  -0.166863D+01 -0.367554D+01  0.723936D+01  0.587623D+00  0.524394D+01
      5  -0.530663D+01 -0.340068D+00  0.617780D+00  0.142592D+01  0.501469D+00
      6   0.481098D+00  0.976184D+00 -0.126370D+01 -0.172436D+01 -0.122020D+01
               131           132           133           134           135 
      1  -0.343504D+02 -0.305861D+01  0.810207D+00 -0.304537D+01 -0.107088D+01
      2   0.472334D+02  0.297957D+01 -0.118878D+01  0.410695D+01  0.193226D+01
      3  -0.128831D+02  0.790450D-01  0.378576D+00 -0.106157D+01 -0.861380D+00
      4   0.122422D+01  0.258283D+00  0.467181D+00  0.114298D+00 -0.123782D+01
      5   0.285805D+00 -0.273850D+00  0.601885D+00 -0.626491D+00 -0.315150D+00
      6   0.523315D+01  0.670399D+01 -0.218897D+00  0.178705D+01  0.785557D+00
               136           137           138           139           140 
      1   0.223982D+02  0.140153D+02  0.127774D+01  0.959754D+01  0.393144D+01
      2  -0.405548D+01  0.106475D+01 -0.444348D+00  0.647295D+01  0.167923D+02
      3  -0.183427D+02 -0.150801D+02 -0.833390D+00 -0.160705D+02 -0.207237D+02
      4   0.334069D+02  0.305439D+02  0.226997D+01  0.343533D+02  0.442586D+02
      5   0.344863D+01  0.255660D+01  0.574624D+01  0.344459D+01  0.400144D+01
      6   0.150197D+01  0.134602D+01  0.292330D+01  0.223572D+01  0.312318D+01
               141           142           143           144           145 
      1   0.375415D+00  0.787311D+00  0.177849D+00 -0.988107D-01  0.977859D+02
      2   0.437760D+00  0.544042D+00  0.137821D+01  0.959707D+00 -0.546990D+02
      3  -0.813175D+00 -0.133135D+01 -0.155606D+01 -0.860897D+00 -0.430869D+02
      4   0.355782D+01  0.312219D+01  0.375463D+01  0.151491D+01 -0.161605D+02
      5   0.484562D+01  0.118008D+01  0.108401D+01  0.543767D+00 -0.186616D+01
      6   0.550044D+01  0.948085D+00  0.146940D+01  0.801127D+00 -0.106395D+01
               146           147           148           149           150 
      1  -0.997623D+01 -0.161267D+01 -0.953338D+01  0.976812D+01  0.858347D+00
      2   0.485758D+01  0.103239D+01  0.409059D+01 -0.433141D+01 -0.750137D+00
      3   0.511865D+01  0.580274D+00  0.544279D+01 -0.543671D+01 -0.108209D+00
      4   0.101862D+02  0.138022D+00  0.163959D+02 -0.521184D+01 -0.483541D+00
      5   0.538069D-01  0.953307D+01  0.166158D+01 -0.408175D+00 -0.120762D+01
      6   0.202609D-01 -0.890930D+00 -0.168441D+00 -0.855926D-01  0.176515D+01
               151           152           153           154           155 
      1  -0.157774D+01  0.925263D+00  0.175108D+01  0.498701D+01 -0.412672D+01
      2   0.789594D+00 -0.502173D+00 -0.840293D+00  0.393532D+01 -0.610349D+01
      3   0.788149D+00 -0.423089D+00 -0.910791D+00 -0.892233D+01  0.102302D+02
      4   0.175686D+01 -0.600316D+00 -0.327558D+00 -0.179026D+02  0.232604D+02
      5   0.383959D+00 -0.155775D+00 -0.314856D+00 -0.176673D+01  0.195105D+01
      6  -0.114747D-01  0.533743D+00  0.214784D+00  0.135445D+01 -0.151319D+01
               156           157           158           159           160 
      1  -0.486202D+00  0.103697D+01 -0.168048D+02 -0.163821D+01  0.717586D-01
      2  -0.235049D+00 -0.122868D+02  0.408508D+02  0.277723D+01 -0.113240D+01
      3   0.721251D+00  0.112499D+02 -0.240460D+02 -0.113901D+01  0.106064D+01
      4   0.212494D+01  0.244827D+02 -0.480355D+02 -0.456835D+01  0.256698D+01
      5   0.363976D+01  0.232231D+01 -0.423302D+01 -0.439367D+01  0.949406D+00
      6  -0.209526D+01 -0.236513D+01  0.582641D+01  0.720160D+01 -0.100671D+01
               161           162           163           164           165 
      1  -0.165727D+01 -0.105273D+01 -0.449850D+01 -0.669233D+01 -0.759402D+00
      2   0.391108D+01  0.194941D+01  0.625845D+01  0.960361D+01  0.646284D+00
      3  -0.225381D+01 -0.896684D+00 -0.175995D+01 -0.291128D+01  0.113118D+00
      4  -0.520365D+01 -0.137462D+01  0.845122D+01  0.833478D+01  0.476957D+00
      5  -0.671534D+00 -0.585058D+00  0.356545D+00  0.298984D+00  0.218246D+01
      6   0.192151D+01  0.117869D+01  0.718831D+00  0.125938D+01  0.186686D+01
               166           167           168           169           170 
      1  -0.813907D+01 -0.202291D+02 -0.207278D+01 -0.528319D+00 -0.166141D+01
      2   0.112463D+02  0.273765D+02  0.167804D+01  0.103189D+01  0.225455D+01
      3  -0.310727D+01 -0.714746D+01  0.394734D+00 -0.503571D+00 -0.593137D+00
      4   0.850109D+01  0.854969D+01  0.473536D+00  0.686699D+00  0.722470D+00
      5   0.407354D+00  0.482920D+00  0.175803D+01  0.707895D+00  0.542667D+00
      6   0.133002D+01  0.278897D+01  0.474005D+01  0.189495D+00  0.125412D+01
               171           172           173           174           175 
      1  -0.103669D+00  0.744695D+02 -0.218702D+01  0.114423D+02 -0.678869D+01
      2   0.879216D+00 -0.412901D+02  0.882992D+00 -0.897586D+01  0.153522D+01
      3  -0.775547D+00 -0.331794D+02  0.130403D+01 -0.246643D+01  0.525346D+01
      4   0.181588D+01 -0.415097D+01  0.814790D+01  0.684846D+00  0.715418D+01
      5   0.177717D+00  0.360061D+02  0.591987D+00  0.148740D+02 -0.147141D+00
      6   0.461566D+00 -0.815596D+00  0.263615D+01  0.425551D+00  0.641933D+00
               176           177           178           179           180 
      1   0.221326D+01  0.266831D+01  0.507853D+01  0.334158D+01  0.198698D+01
      2  -0.921788D+00 -0.131602D+01 -0.434974D+01 -0.824269D+00 -0.314823D+01
      3  -0.129147D+01 -0.135229D+01 -0.728794D+00 -0.251731D+01  0.116125D+01
      4  -0.188551D+01  0.214950D+01  0.317815D+01  0.144041D+01 -0.801013D+00
      5   0.254980D+01 -0.860342D+00  0.876427D+01  0.320811D+00  0.467278D+01
      6  -0.550852D+00  0.215085D+01  0.135292D+01  0.184593D+01 -0.469129D+00

 ----------------------------------------------------------------------

 Electric dipole moment (input orientation):
 (Debye = 10**-18 statcoulomb cm , SI units = C m)
                  (au)            (Debye)         (10**-30 SI)
   Tot        0.488528D+00      0.124171D+01      0.414191D+01
   x          0.245672D+00      0.624437D+00      0.208290D+01
   y          0.306186D+00      0.778248D+00      0.259596D+01
   z         -0.290782D+00     -0.739095D+00     -0.246536D+01

 Dipole polarizability, Alpha (input orientation).
 (esu units = cm**3 , SI units = C**2 m**2 J**-1)
 Alpha(0;0):
               (au)            (10**-24 esu)      (10**-40 SI)
   iso        0.990668D+02      0.146802D+02      0.163339D+02
   aniso      0.481404D+02      0.713368D+01      0.793729D+01
   xx         0.126027D+03      0.186753D+02      0.207790D+02
   yx         0.233992D+00      0.346741D-01      0.385801D-01
   yy         0.100325D+03      0.148666D+02      0.165413D+02
   zx        -0.475344D+00     -0.704387D-01     -0.783737D-01
   zy         0.314265D+01      0.465692D+00      0.518152D+00
   zz         0.708488D+02      0.104987D+02      0.116814D+02

 Dipole polarizability, Alpha (input orientation).
 (esu units = cm**3 , SI units = C**2 m**2 J**-1)
 Alpha(-w;w) w=  532.0nm:
                  (au)         (10**-24 esu)      (10**-40 SI)
   iso        0.107856D+03      0.159827D+02      0.177831D+02
   aniso      0.480076D+02      0.711400D+01      0.791539D+01
   xx         0.134967D+03      0.200001D+02      0.222531D+02
   yx         0.848765D+00      0.125774D+00      0.139942D+00
   yy         0.108808D+03      0.161237D+02      0.179400D+02
   zx        -0.701644D+00     -0.103973D+00     -0.115685D+00
   zy         0.231011D+01      0.342322D+00      0.380885D+00
   zz         0.797943D+02      0.118243D+02      0.131563D+02

 ----------------------------------------------------------------------

 Dipole orientation:
     6         -3.16264946         -2.64831002         -0.27778944
     6         -0.93351667         -1.80403370          0.82033765
     6          0.26368603          0.37719244         -0.05123014
     6         -0.83459396          1.69448755         -2.04621225
     6         -3.07174258          0.86616067         -3.14556156
     6         -4.24272983         -1.31177548         -2.26499903
     6          2.71662331          1.28124023          1.11439242
     7          4.77041665         -0.43212748          0.35650236
     6          2.49356907          1.66247434          3.97928923
     1          4.34187185         -2.23750951          0.83547126
     1          3.15080572          3.11696807          0.27079024
     1          2.09365808         -0.11848481          4.94091989
     1          0.98361194          2.99179990          4.43991829
     1          4.26260304          2.40891876          4.73766965
     1          0.08062436          3.38429690         -2.75161921
     1         -3.89567118          1.91962729         -4.69371475
     1         -5.98359732         -1.96365186         -3.11810447
     1         -4.06203660         -4.34703777          0.42313092
     1         -0.12779218         -2.86030940          2.37789561
     1          6.39112054          0.02566040          1.27275774

 Electric dipole moment (dipole orientation):
 (Debye = 10**-18 statcoulomb cm , SI units = C m)
                  (au)            (Debye)         (10**-30 SI)
   Tot        0.488528D+00      0.124171D+01      0.414191D+01
   x          0.000000D+00      0.000000D+00      0.000000D+00
   y          0.000000D+00      0.000000D+00      0.000000D+00
   z          0.488528D+00      0.124171D+01      0.414191D+01

 Dipole polarizability, Alpha (dipole orientation).
 (esu units = cm**3 , SI units = C**2 m**2 J**-1)
 Alpha(0;0):
               (au)            (10**-24 esu)      (10**-40 SI)
   iso        0.990668D+02      0.146802D+02      0.163339D+02
   aniso      0.481404D+02      0.713368D+01      0.793729D+01
   xx         0.109965D+03      0.162951D+02      0.181308D+02
   yx         0.128074D+02      0.189786D+01      0.211165D+01
   yy         0.927666D+02      0.137466D+02      0.152951D+02
   zx         0.212773D+02      0.315296D+01      0.350815D+01
   zy        -0.812091D+01     -0.120339D+01     -0.133896D+01
   zz         0.944689D+02      0.139988D+02      0.155758D+02

 Dipole polarizability, Alpha (dipole orientation).
 (esu units = cm**3 , SI units = C**2 m**2 J**-1)
 Alpha(-w;w) w=  532.0nm:
                  (au)         (10**-24 esu)      (10**-40 SI)
   iso        0.107856D+03      0.159827D+02      0.177831D+02
   aniso      0.480076D+02      0.711400D+01      0.791539D+01
   xx         0.118658D+03      0.175833D+02      0.195641D+02
   yx         0.126331D+02      0.187203D+01      0.208291D+01
   yy         0.100536D+03      0.148978D+02      0.165761D+02
   zx         0.212913D+02      0.315504D+01      0.351046D+01
   zy        -0.800846D+01     -0.118673D+01     -0.132042D+01
   zz         0.104376D+03      0.154669D+02      0.172092D+02

 ----------------------------------------------------------------------
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 9,-0.00000174,-0.00000054,0.00000667\\\@


 KNIGHT- SIRE, I'VE JUST RETURNED FROM THE FRONT
 KING-   HOW GOES THE BATTLE                    
 KNIGHT- THE SITUATION IS QUITE FLUID           
 KING-   WHAT DOES *THAT* MEAN                  
 KNIGHT- WE'RE UP THE CREEK                     
                THE WIZARD OF ID                
 Job cpu time:       0 days  3 hours 25 minutes 51.8 seconds.
 Elapsed time:       0 days  0 hours 25 minutes 48.4 seconds.
 File lengths (MBytes):  RWF=    259 Int=      0 D2E=      0 Chk=     10 Scr=      2
 Normal termination of Gaussian 16 at Thu Aug 12 22:35:56 2021.
